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"count": 1453,
"next": "https://mitotox.org/api/compounds/list?format=api&page=2",
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"results": [
{
"compound_ID": "D0001",
"name": "Fluorouracil",
"synonyms": "5-Fluorouracil; fluorouracil; 51-21-8; 5-FU; Fluoroplex; Efudex; Adrucil; Carac; Fluracil; Fluoroblastin; 5-fluoropyrimidine-2,4(1H,3H)-dione; Kecimeton; Carzonal; Timazin; Arumel; Efudix; Fluril; 5-Fluoracil; Fluracilum; Queroplex; Ulup; Phthoruracil; Fluro Uracil; 5-Fluoro-2,4(1H,3H)-pyrimidinedione; Fluorouracilum; Ftoruracil; Efurix; Fluri; 5-fluoro-1H-pyrimidine-2,4-dione; 5 Fluorouracil; Effluderm (free base); Fluorouracilo; Fluroblastin; 2,4(1H,3H)-Pyrimidinedione, 5-fluoro-; 2,4-Dihydroxy-5-fluoropyrimidine; Fluoro-uracile; Fluoro-uracilo; 5-Fluoropyrimidine-2,4-dione; Uracil, 5-fluoro-; 5-Fluoruracil; 5-Faracil; Cinco FU; Ro 2-9757; 5-Fluor-2,4-pyrimidindiol; Fluorouracile [DCIT]; 5-Fluoracil [German]; 5-fluoro uracil; 5-Ftouracyl; 5-Fluoruracil [German]; Fluorouracil, 5-; Fluorouracilum [INN-Latin]; Fluorouracilo [INN-Spanish]; 5-Fluoropyrimidin-2,4-diol; 5-fluoropyrimidine-2,4-diol; NSC 19893; 2,4-Dioxo-5-fluoropyrimidine; 5-Fluoro-2,4-pyrimidinedione; Fluorouracil (Adrucil); 5-Fluor-2,4-dihydroxypyrimidin; U-8953; 5-fluoro-uracil; FU; 5-Fluor-2,4-pyrimidindiol [Czech]; NSC-19893; C4H3FN2O2; UNII-U3P01618RT; CCRIS 2582; 5-Fluor-2,4-dihydroxypyrimidin [Czech]; HSDB 3228; 5-Fluor-2,4(1H,3H)-pyrimidindion [Czech]; 5-Fluorouracil, 99%; EINECS 200-085-6; CHEMBL185; Ro-2-9757; 5-fluoro-1,2,3,4-tetrahydropyrimidine-2,4-dione; AI3-25297; MLS000069498; 191047-65-1; 5FU; Phtoruracil; CHEBI:46345; GHASVSINZRGABV-UHFFFAOYSA-N; U3P01618RT; NSC19893; Fluorouracil (5-Fluoracil, 5-FU); MFCD00006018; URF; NCGC00015442-02; Fluorouracile; Effluderm; SMR000038082; DSSTox_CID_634; 5-Fluoracyl; DSSTox_RID_75705; DSSTox_GSID_20634; Fluorouracil Cream; CAS-51-21-8; Fluoroplex (TN); Adrucil (TN); 5-fluoro-1,3-dihydropyrimidine-2,4-dione; Carac (TN); SR-01000075881; Fluorouracil [USAN:INN:BAN:JAN]; 5-Fluor-2,4(1H,3H)-pyrimidindion; Fluouracil; inhibits thymilidate synthetase; Tolak; 2,4-Dioxo-5-fluoropryimidine; 5-fluorourasil; Fluoro Uracil; 5-florouracil; 5-fluorouacil; 5-FU (TN); 5-Fluracil; 1upf; 5F-uracil; U 8953; 1-fluoro-1h-pyrimidine-2,4-dione; Adrucil (ICN); Adrucil(Fluorouracil); 2794-13-0; 766-63-2; Adrucil (Fluorouracil); Fluorouracil - Adrucil; Fluorouracil [USAN:USP:INN:BAN:JAN]; Spectrum_000841; ACMC-1ATRK; Opera_ID_134; Spectrum2_000076; Spectrum3_000434; Spectrum4_000557; Spectrum5_000718; WLN: T6MVMVJ EF; Lopac-F-6627; F0151; UPCMLD-DP130; EC 200-085-6; F 6627; SCHEMBL3646; 5-fluorpyrimidin-2,4-diol; Lopac0_000536; BSPBio_002048; KBioGR_001253; KBioSS_001321; KSC270K6T; MLS002415705; 5-fluoro-2,4-Pyrimidinediol; DivK1c_000054; SPECTRUM1500305; SPBio_000291; 5-fluoro-2,4-dioxo-pyrimidin; 5-fluoro-pyrimidine-2,4-diol; GTPL4789; DTXSID2020634; UPCMLD-DP130:001; CTK1H0569; CTK8H4220; Fluorouracil (JP17/USP/INN); HMS500C16; KBio1_000054; KBio2_001321; KBio2_003889; KBio2_006457; KBio3_001268; 5-Fluoro-2,3H)-pyrimidinedione; 2,4-Pyrimidinedione, 5-fluoro-; NINDS_000054; BCPP000428; HMS1920O18; HMS2090I04; HMS2091F19; HMS3259O03; HMS3261L13; HMS3654K22; HMS3715H03; Pharmakon1600-01500305; 5-Fluorouracil, analytical standard; BCP02083; KS-00000DY3; 2,3H)-Pyrimidinedione, 5-fluoro-; Tox21_110150; Tox21_202335; Tox21_300112; Tox21_500536; ANW-31214; BBL009635; BDBM50340677; CCG-39879; CF0033; DL-399; LS-153; NSC757036; Ro-29757; RW2456; s1209; SBB085751; STK297802; STL367375; ZINC38212689; AKOS000119162; AKOS003237897; AKOS008044307; Tox21_110150_1; BCP9000239; CS-0993; DB00544; KS-5129; LP00536; LS40596; MCULE-6338086431; NC00454; NSC-757036; IDI1_000054; NCGC00015442-01; NCGC00015442-03; NCGC00015442-04; NCGC00015442-05; NCGC00015442-06; NCGC00015442-07; NCGC00015442-08; NCGC00015442-09; NCGC00015442-10; NCGC00015442-11; NCGC00015442-12; NCGC00015442-15; NCGC00015442-16; NCGC00091349-01; NCGC00091349-02; NCGC00091349-03; NCGC00091349-04; NCGC00091349-05; NCGC00091349-07; NCGC00091349-08; NCGC00254023-01; NCGC00259884-01; NCGC00261221-01; 4CA-0544; 5-Fluoro-2,4-(1H,3H)-pyrimidinedione; AC-11201; AK-46307; CPD000038082; HY-90006; NCI60_001652; SAM002264615; SC-09038; SRI-10792-04; SRI-10792-05; SRI-10792-06; SRI-10792_07; SRI-10792_08; 5-Fluoro-1H-pyrimidine-2,4-dione(5FU); 5-Fluorouracil, >=99% (HPLC), powder; SBI-0050519.P004; 5-Fluoro-1H-pyrimidine-2,4-dione(5-FU); AB1000177; DB-051923; DB-065735; 5-Fluoro-1H-pyrimidine-2,4-dione (5-FU); AM20100252; EU-0100536; FT-0082524; FT-0601511; FT-0707652; ST45025877; SW199617-3; 5-Fluoro-1H-pyrimidine-2,4-dione(5-FUra); Fluorouracil, meets USP testing specifications; 51F218; 7375-EP2269989A1; 7375-EP2269994A1; 7375-EP2270008A1; 7375-EP2270018A1; 7375-EP2272827A1; 7375-EP2272832A1; 7375-EP2275102A1; 7375-EP2275412A1; 7375-EP2275413A1; 7375-EP2277876A1; 7375-EP2280012A2; 7375-EP2281563A1; 7375-EP2281815A1; 7375-EP2287156A1; 7375-EP2289892A1; 7375-EP2292233A2; 7375-EP2292614A1; 7375-EP2292615A1; 7375-EP2292617A1; 7375-EP2295416A2; 7375-EP2295426A1; 7375-EP2295427A1; 7375-EP2298748A2; 7375-EP2298768A1; 7375-EP2298772A1; 7375-EP2298780A1; 7375-EP2301928A1; 7375-EP2301933A1; 7375-EP2305219A1; 7375-EP2305243A1; 7375-EP2305640A2; 7375-EP2305642A2; 7375-EP2305671A1; 7375-EP2305689A1; 7375-EP2308833A2; 7375-EP2308839A1; 7375-EP2308855A1; 7375-EP2308861A1; 7375-EP2311807A1; 7375-EP2311808A1; 7375-EP2311825A1; 7375-EP2311827A1; 7375-EP2311829A1; 7375-EP2311840A1; 7375-EP2314590A1; 7375-EP2316459A1; 7375-EP2316831A1; 7375-EP2316834A1; 7375-EP2316974A1; 7375-EP2374454A1; C07649; D00584; W-5036; 29507-EP2270008A1; 29507-EP2270505A1; 29507-EP2272827A1; 29507-EP2289892A1; 29507-EP2292234A1; 29507-EP2292617A1; 29507-EP2295426A1; 29507-EP2295427A1; 29507-EP2298305A1; 29507-EP2308861A1; 29507-EP2311842A2; 42164-EP2272827A1; 42164-EP2275420A1; 42164-EP2277565A2; 42164-EP2277566A2; 42164-EP2277567A1; 42164-EP2277568A2; 42164-EP2277569A2; 42164-EP2277570A2; 42164-EP2277876A1; 42164-EP2292280A1; 42164-EP2292614A1; 42164-EP2295412A1; 42164-EP2295413A1; 42164-EP2295416A2; 42164-EP2298748A2; 42164-EP2298764A1; 42164-EP2298765A1; 42164-EP2298778A1; 42164-EP2305642A2; 42164-EP2308833A2; 42164-EP2311808A1; 42164-EP2311829A1; 42164-EP2311840A1; 5-Fluorouracil, Vetec(TM) reagent grade, >=99%; Q238512; W-60379; (5-fluorouracil)5-Fluoro-1H-pyrimidine-2,4-dione; 5-Fluoro-1H-pyrimidine-2,4-dione(5-fluoro uracil); SR-01000075881-1; SR-01000075881-3; SR-01000075881-5; W-202929; 5-Fluoro-1H-pyrimidine-2,4-dione (5-Fluorouracil); BRD-K24844714-001-02-1; Z275128052; 5-Fluoro-1H-pyrimidine-2,4-dione(5-fluorouracil)(5-FU); 5-Fluorouracil, certified reference material, TraceCERT(R); Fluorouracil, British Pharmacopoeia (BP) Reference Standard; Fluorouracil, European Pharmacopoeia (EP) Reference Standard; Fluorouracil, United States Pharmacopeia (USP) Reference Standard; pyrimidine antimetabolite: inhibits nucleic acid replication; tetratogen; 2,4-Dihydroxy-5-fluoropyrimidine; 5-Fluoro-2,4(1H,3H)-pyrimidinedione; 5-FU; Fluorouracil, Pharmaceutical Secondary Standard; Certified Reference Material; InChI=1/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9",
"trade_name": "Adrucil, Carac, Efudex, Efudix",
"abbrev_name": "5-FU",
"description": "Anti-cancer; an antineoplastic antimetabolite; a pyrimidine analog; blocking the thymidylate synthetase",
"molecular_formula": "C4H3FN2O2",
"molecular_weight": "130.08",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "Seven percent to 20% of the parent drug is excreted unchanged in the urine in 6 hours; of this over 90% is excreted in the first hour.\nThe remaining percentage of the administered dose is metabolized, primarily in the liver.",
"protein_binding": "8-12%",
"half_life": "10-20 minutes",
"absorption": "28-100%",
"cid": "3385",
"classification": "L",
"indications": "Actinic keratosis; Bowen's disease; Cervix carcinoma; Colon cancer; Dihydropyrimidine dehydrogenase deficiency; Hyperkeratosis; Oesophageal carcinoma; Renal cell carcinoma; Seborrhoeic keratosis; Skin cancer",
"side_effects": "Application site reaction (0.946); Eye irritation; Musculoskeletal discomfort; Myalgia; Sinusitis",
"atc_codes": "L01BC02; L01BC52",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0701"
],
"references": [
"RC03433"
]
},
{
"compound_ID": "D0002",
"name": "Abacavir",
"synonyms": "abacavir; 136470-78-5; Ziagen; Abacavir sulfate; UNII-WR2TIP26VS; (1S,4R)-4-[2-Amino-6-(cyclopropylamino)-9H-purin-9-yl]-2-cyclopentene-1-methanol; CHEBI:421707; WR2TIP26VS; 1592U89; {(1S-cis)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol; Abacavir [INN:BAN]; [(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol; 2-Cyclopentene-1-methanol, 4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]-, (1S,4R)-; Abacavir (INN); (+/-)-Abacavir; NSC742406; Ziagen (TM)(*Succinate salt*); [(1S,4R)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl]methanol; {(1S,4R)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol; 2-Cyclopentene-1-methanol, 4-(2-amino-6-(cyclopropylamino)-9H-purin-9-yl)-, (1S,4R)-; NCGC00164560-01; Epitope ID:137341; CHEMBL1380; SCHEMBL38632; MLS006010117; KS-00000XJM; 2-Cyclopentene-1-methanol, 4-(2-amino-6-(cyclopropylamino)-9H-purin-9-yl)-, (1S-cis)-; MCGSCOLBFJQGHM-SCZZXKLOSA-N; ACT03218; BCP07728; ZINC2015928; BDBM50366816; MFCD00903850; AKOS024464970; AC-1299; CS-1354; DB01048; (+/-)-4-[2-Amino-6-(cyclopropylamino)-9H-purin-9-yl]-2-cyclopentene-1-methanol; NCGC00164560-02; AK163479; CC-23613; HY-17423; SC-16996; SC-20023; SMR004701251; FT-0631153; ST24045890; C07624; D07057; EN300-258000; W-5205; AB01566826_01; 470A785; A807079; C-18039; Q304330; J-700136; ((1s,4r)-4-(2-amino-6-(cyclopropylamino)-9h-purin-9-yl)cyclopent-2-enyl)methanol; (+/-)-cis-4-[2-Amino-6-(cyclopropylamino)-9H-purin-9-yl]-2-cyclopentene-1-methanol; [(1S,4R)-4-[2-amino-6-(cyclopropylamino)-9-purinyl]-1-cyclopent-2-enyl]methanol; [(1s,4r)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]-1-cyclopent-2-enyl]methanol; [(1S,4R)-4-[2-azanyl-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol",
"trade_name": "Ziagen",
"abbrev_name": "ABC",
"description": "nucleoside analog reverse transcriptase inhibitor (NRTI) to treat HIV and AIDS; a synthetic carbocyclic nucleoside; guanine analogue",
"molecular_formula": "C14H18N6O",
"molecular_weight": "286.33",
"state": "solid",
"clearance": "* 0.80 ± 0.24 L/hr/kg [asymptomatic, HIV-1-infected adult patients receiving single (IV dose of 150 mg]",
"volume_of_distribution": "* 0.86 ± 0.15 L/kg [IV administration]",
"route_of_elimination": "Elimination of abacavir was quantified in a mass balance study following administration of a 600-mg dose of 14C-abacavir: 99% of the radioactivity was recovered, 1.2% was excreted in the urine as abacavir, 30% as the 5′-carboxylic acid metabolite, 36% as the 5′-glucuronide metabolite, and 15% as unidentified minor metabolites in the urine. Fecal elimination accounted for 16% of the dose. Renal excretion of unchanged abacavir is a minor route of elimination in humans.",
"protein_binding": "Moderate (approximately 50%). Binding of abacavir to plasma protein was independent of concentration. \n",
"half_life": "1.54 ± 0.63 hours",
"absorption": "Rapid and extensive after oral administration (83% bioavailability, tablet). When a 300 mg tablet is given twice daily to subjects, the peak plasma concentration (Cmax) was 3.0 ± 0.89 mcg/mL and the area under the curve (AUC 0-12 hours) was 6.02 ± 1.73 mcg•hr/mL.",
"cid": "441300",
"classification": "J",
"indications": "Disease progression; Drug interaction; Epilepsy; Hypersensitivity; Immunodeficiency; Infection; Pathogen resistance",
"side_effects": "Chills (0.12); Pruritus (0.17); Abdominal discomfort; Abnormal dreams; Anxiety; Asthenia; Body temperature increased; Cough; Depression; Dermatitis; Diarrhoea; Discomfort; Dizziness; Drug hypersensitivity; Fatigue; Feeling abnormal; Headache; Ill-defined disorder; Infection; Insomnia; Malaise; Musculoskeletal pain; Nausea; Neuropathy peripheral; Pain; Rash; Sleep disorder; Vomiting",
"atc_codes": "J05AF06; J05AR02; J05AR04; J05AR13",
"group": "Drug",
"drug_type": "",
"target": [
"T234"
],
"function": [
"F060102"
],
"references": [
"RC03434",
"RC03681"
]
},
{
"compound_ID": "D0003",
"name": "Acetaminophen",
"synonyms": "acetaminophen; 4-Acetamidophenol; Paracetamol; 103-90-2; Tylenol; N-(4-Hydroxyphenyl)acetamide; APAP; Acetaminofen; Panadol; Datril; N-Acetyl-p-aminophenol; p-Hydroxyacetanilide; 4'-Hydroxyacetanilide; p-Acetamidophenol; Algotropyl; Lonarid; Naprinol; Acamol; Acenol; Anelix; Multin; p-Acetaminophenol; Abensanil; Acetagesic; Acetalgin; Clixodyne; Gelocatil; Injectapap; Liquagesic; Pyrinazine; Servigesic; Alvedon; Anaflon; Apamide; Dymadon; Febridol; Febrilix; Febrolin; Finimal; Homoolan; Lestemp; Paracet; Tabalgin; Tralgon; Tussapap; Valadol; Valgesic; Alpiny; Amadil; Anhiba; Calpol; Dirox; Eneril; Fendon; Hedex; Lyteca; Pacemo; Panets; Parmol; Tapar; Tempra; Paracetamolo; Doliprane; Dolprone; Momentum; Ortensan; Paldesic; Banesin; Captin; Disprol; Enelfa; Neopap; Salzone; Exdol; p-Acetylaminophenol; Febro-Gesic; NEBS; Acetamide, N-(4-hydroxyphenyl)-; Paracetamolum; Biocetamol; Dafalgan; Dolgesic; Elixodyne; Febrectal; Tempanal; Vermidon; Abenol; Apacet; Apadon; Cetadol; Fensum; Janupap; Minoset; Napafen; Neodol; Nobedon; Pacemol; Panodil; Parapan; Pedric; Phendon; Rounox; Suppap; Korum; Pinex; Temlo; 4-(Acetylamino)phenol; Ben-u-ron; Dial-A-Gesic; Anacin-3; Calmanticold; Codoliprane; Demogripal; Dolegrippin; Doloreduct; Dristancito; Duracetamol; Eu-Med; Grippostad; Gynospasmine; Medocodene; Paedialgon; Paracetanol; Parakapton; Pediapirin; Phenipirin; Phogoglandin; Predualito; Sanicopyrine; Scentalgyl; Sunetheton; Tachiprina; Termalgine; Treuphadol; Abrolet; Acertol; Acetaco; Acetamol; Acetofen; Afebrin; Afebryl; Aferadol; Algesidal; Algomol; Alpinyl; Analter; Antidol; Apitrelal; Atralidon; Babikan; Bacetamol; Cadafen; Calapol; Causalon; Cefalex; Codabrol; Codalgin; Codapane; Codicet; Codisal; Cofamol; Cosutone; Cuponol; Curadon; Custodial; Darocet; Daygrip; Deminofen; Democyl; Desfebre; Dimindol; Dolefin; Dolofugin; Dolorfug; Dolorstop; Dolotec; Dorocoff; Dularin; Durapan; Ecosetol; Excipain; Fanalgic; Farmadol; Febranine; Febrectol; Febricet; Febrinol; Fepanil; Finiweh; Fluparmol; Geluprane; Ildamol; Inalgex; Infadrops; Kataprin; Labamol; Lekadol; Lemgrip; Lupocet; Magnidol; Malidens; Maxadol; Mexalen; Minafen; Miralgin; Nealgyl; Neodolito; Neotrend; Neuridon; Nodolex; Oralgan; Oxycocet; Pacimol; Panacete; Panadeine; Panadiene; Panaleve; Panamax; Panasorbe; Panofen; Pantalgin; Paracemol; Paracenol; Paracetol; Paracin; Paracod; Paracodol; Parador; Paradrops; Paralen; Paralief; Paralink; Paralyoc; Paramol; Paramolan; Paranox; Parasedol; Parasin; Paraspen; Parcetol; Parogal; Pediatrix; Piramin; Pirinasol; Polmofen; Predimol; Prontina; Puernol; Pulmofen; Pyrigesic; Pyromed; Remedol; Rivalgyl; Rubophen; Rupemol; Sanicet; Schmerzex; Sedalito; Semolacin; Seskamol; Setakop; Setamol; Sifenol; Sinaspril; Sinedol; Stanback; Stopain; Supofen; Tazamol; Termacet; Termalgin; Termofren; Titralgan; Tricoton; Upsanol; Utragin; Veralgina; Viruflu; Vivimed; Zatinol; Abrol; Algina; Anapap; Andox; Arfen; Asetam; Asomal; Aspac; Asplin; Benmyo; Curpol; Dhamol; Dolcor; Dolko; Dresan; Dypap; Febrex; Febrin; Lemsip; Malgis; Noral; Oltyl; Paceco; Pacet; Paedol; Painex; Pamol; Panex; Parake; Paroma; Plicet; Prodol; Reliv; Scanol; Setol; Sinmol; Tiffy; Tylex; Tylol; Tymol; Verpol; Volpan; Zolben; NeoCitran; NilnOcen; Nina; RubieMol; Vips; Supadol mono; Treupel mon; Bickie-mol; Fortalidon P; Gattaphen T; Gripin Bebe; Influbene N; Lonarid Mono; Lyteca Syrup; Panadeine Co; Dymadon Co; Toximer P; Treupel N; Accu-Tap; 4-Acetaminophenol; Helon N; Malex N; Spalt N; Tylex CD; N-Acetyl-4-aminophenol; SK-Apap; Paracetamole; Conacetol; Darvocet; Empracet; Panasorb; Perfalgan; A-Per; Apamid; Duaneo; Duorol; Ofirmev; Parelan; Prompt; Vicodin; Fevor; Freka-cetamol; Codisal Forte; Croix Blanche; Dolorol Forte; Dymadon Forte; Junior Disprol; Kinder Finimal; Liquigesic Co; Mono Praecimed; Percocet-Demi; Perdolan Mono; Rockamol Plus; Viclor Richet; Actifed Plus; Kratofin simplex; Neo-Fepramol; Paracetamol AL; Paracetamol BC; Paracetamol PB; Acetanilide, 4'-hydroxy-; Claradol Codeine; Geralgine-P; Melabon Infantil; Migraleve Yellow; Paracetamol Saar; Pyregesic-C; Anti-Algos; Para-Suppo; Pasolind N; Supramol-M; Fever All; No-Febril; Panado-Co; Para-Tabs; Paracetamol Hexal; Paracetamol Raffo; Paracetamol Rosch; Paracetamol Stada; Dol-Stop; Anadin dla dzieci; p-Hydroxyphenolacetamide; Percocet-5; Cod-Acamol Forte; Contra-Schmerz P; Hy-Phen; Medinol Paediatric; Paracetamol Basics; Panado-Co Caplets; Paracetamol von ct; Pe-Tam; Paracetamol Fecofar; Paracetamol Harkley; Paracetamol Heumann; Paracetamol Nycomed; Codral Pain Relief; Paracetamol Hanseler; Paracetamol Winthrop; 4-Hydroxyacetanilide; acetaminophene; Phenaphen W/Codeine; Spalt fur die nacht; A.F. Anacin; Capital with Codeine; Acetominophen; Paracetamol Genericon; Anexsia; Demilets; Endecon; Intensin; Naldegesic; Propacet; Resfenol; Theraflu; Wygesic; Paracetamol Ratiopharm; Coricidin Sinus; Paracetamol Italfarmaco; Sudafed Sinus; Coricidin D; Dafalgan Codeine; Paracetamol DC; Quiet World; Paracetamol Antipanin P; St Joseph Aspirin-Free; Jin Gang; New Cortal for Children; INFANTS' FEVERALL; St. Joseph Fever Reducer; Midol Teen Formula; Paracetamol Dr. Schmidgall; Acetamide, N-(p-hydroxyphenyl)-; Aspirin-Free Anacin; Children's Tylenol Chewable; NCI-C55801; PCM Paracetamol Lichtenstein; Tylenol Allergy Sinus; p-(Acetylamino)phenol; Rhinex D-Lay Tablets; Midol Regular Strength; Paracetamol SmithKline Beecham; Scherzatabletten Rezeptur 534; Paracetamolo [Italian]; Percogesic with Codeine; Robitussin Night Relief; 4-Hydroxyanilid kyseliny octove; Acenol (pharmaceutical); Bayer Select Head Cold; N-(4-Hydroxyphenyl)acetanilide; Drixoral Sinus; Paracetamol [INN:BAN]; CCRIS 3; Bayer Select Allergy-Sinus; Bayer Select Headache Pain; Dristan Cold No Drowsiness; Paracetamolum [INN-Latin]; Sudafed Severe Cold Formula; Prestwick_13; St Joseph Aspirin-Free for Children; UNII-362O9ITL9D; 4-acetylaminophenol; Children's Acetaminophen Elixir Drops; Children's Acetaminophen Oral Solution; Midol PM Night Time Formula; Tavist Allergy/Sinus/Headache; Triaminic Sore Throat Formula; Bayer Select Sinus Pain Relief; Drixoral Cold & Flu; Phenol, p-acetamido-; Sine-Off Sinus Medicine Caplets; CHEBI:46195; HSDB 3001; Roxicet 5/500; RZVAJINKPMORJF-UHFFFAOYSA-N; Tocris-1706; Contac Cough & Sore Throat Formula; N-acetyl-para-aminophenol; 4-(N-Acetylamino)phenol; Acetaminophen (4-hydroxyacetanilide); Bayer Select Menstrual Multi-Symptom; EINECS 203-157-5; 222 AF; n-acetyl-4-hydroxyaniline; 4-Acetamidophenol, 98%; St. Joseph Cold Tablets for Children; CHEMBL112; NSC 109028; N-(4-Hydroxyphenyl)acetamide (Tylenol); 4-Hydroxyanilid kyseliny octove [Czech]; Children's Acetaminophen Elixir Solution; N-(4-hydroxyphenyl)ethanamide; N-(4-hydroxyphenyl)-acetamide; 362O9ITL9D; ANEXSIA 10/660; Aminofen; DTXSID2020006; Atasol; component of Dialog; component of Dilone; component of Endecon; component of Percocet; component of Phenaphen; TYL; component of Percogesic; DSSTox_CID_6; NCGC00016361-07; Actamin; CAS-103-90-2; Pasolind; Redutemp; Robigesic; Valorin; Aceta Elixir; WLN: QR DMV1; DSSTox_RID_75318; DSSTox_GSID_20006; component of Hycomine Compound; Acetavance; Arthralgen; Anuphen; Calonal; Capital; Flexsure; Liqiprine; Aceta Tablets; D oliprane; Valorin Extra; Panale ve; Ty lenol; Snaplets-FR; Oraphen-PD; Phenaphen Caplets; Tylenol (caplet); Tylenol (geltab); Tylenol 8-Hour; SMR000112065; Dapa X-S; Acetaminophen [USP]; SR-01000597517; Acetaminophen [USP:JAN]; paracetamol (acetaminophen); acetaminophenol; acetominophene; Claratal; Daphalgan; Resprin; Calpol infant; Daga; Apacet Capsules; Atasol Caplets; Atasol Tablets; Tempra Caplets; Tylenol Caplets; Tylenol Elixir; Tylenol Gelcaps; Tylenol Tablets; Actamin Extra; Actamin Super; Aminofen Max; Apacet Elixir; Atasol Drops; Exdol Strong; p-Acetoaminophen; Tempra Drops; Tempra Syrup; Tylenol Drops; alpha-Per; Citramon P; Excedrin Caplets; Dial-alpha-gesic; Apo-Acetaminophen; 4-acetominophenol; Genebs X-Tra; Paracetamol;Tylenol; 4-acetamido phenol; 4-acetamido-phenol; Tempra D.S; 4-Acetamino phenol; APAP, Paracetamol; Acetaminophen 650; p-hydroxy-acetanilid; p-hydroxyacetoanilide; Paracetamol (INN); Proxyphene/Acetamine; Tylenol (TN); Supac (Salt/Mix); Tylox (Salt/Mix); MFCD00002328; Zydone (Salt/Mix); Atasol Forte Caplets; Atasol Forte Tablets; Atasol Oral Solution; para-acetylaminophenol; Anexsia (Salt/Mix); Endecon (Salt/Mix); Sinubid (Salt/Mix); Talacen (Salt/Mix); Vicodin (Salt/Mix); Wygesic (Salt/Mix); Acetaminophen Uniserts; Datril Extra-Strength; Tylenol Infants Drops; Demilets (Salt/Mix); Empracet (Salt/Mix); Intensin (Salt/Mix); Propacet (Salt/Mix); Suppap-120; Suppap-325; Suppap-650; Panadol Extra Strength; TheraFlu (Salt/Mix); Coricidin (Salt/Mix); Liquiprin (Salt/Mix); Hy-Phen (Salt/Mix); IV-APAP; phenol derivative, 11; PubChem17726; Spectrum_000016; Tempra Chewable Tablets; Naldegesic (Salt/Mix); Actimol Chewable Tablets; Feverall Junior Strength; Darvocet-N (Salt/Mix); Anacin-3 Extra Strength; Liquiprin Infants\" Drops; N-acetyl para aminophenol; Prestwick0_000868; Prestwick1_000868; Prestwick2_000868; Prestwick3_000868; Spectrum2_000085; Spectrum3_000283; Spectrum4_000140; Spectrum5_000736; Coricidin D (Salt/Mix); Quiet World (Salt/Mix); Genapap Children's Elixir; Tylenol Children's Elixir; Actifed Plus (Salt/Mix); Epitope ID:117710; Genapap Children's Tablets; Sudafed Sinus (Salt/Mix); EC 203-157-5; Actimol Infants' Suspension; Drixoral Sinus (Salt/Mix); Liquiprin Children's Elixir; N-acetyl-4-hydroxyaniline;; SCHEMBL3480; Acetaminophen (JP17/USP); Coricidin Sinus (Salt/Mix); N-(4-hydroxyfenyl)ethanamid; BSPBio_000915; BSPBio_001786; DDS-06A; KBioGR_000560; KBioSS_000356; 4-13-00-01091 (Beilstein Handbook Reference); Actimol Children's Suspension; Apacet Extra Strength Caplets; Apacet Extra Strength Tablets; Aspirin-Free Excedrin Caplets; Genebs Extra Strength Caplets; KSC492K1N; MLS001146925; MLS001331684; MLS002154041; BIDD:GT0005; DivK1c_000660; SPECTRUM1500101; Genapap Extra Strength Caplets; Genapap Extra Strength Tablets; SPBio_000010; SPBio_002836; Tapanol Extra Strength Caplets; Tapanol Extra Strength Tablets; Tylenol Extra Strength Caplets; Tylenol Extra Strength Gelcaps; Tylenol Extra Strength Tablets; ACMC-20989w; Actimol Junior Strength Caplets; Apacet Regular Strength Tablets; BPBio1_001007; Excedrin Extra Strength Caplets; Genebs Regular Strength Tablets; GTPL5239; Panadol Junior Strength Caplets; SGCUT00014; Tylenol Junior Strength Caplets; Midol Teen Formula (Salt/Mix); Genapap Regular Strength Tablets; Panadol Maximum Strength Caplets; Panadol Maximum Strength Tablets; SCHEMBL19474893; Tylenol Regular Strength Caplets; Tylenol Regular Strength Tablets; Aspirin-Free Anacin (Salt/Mix); BDBM26197; CTK3J2516; HMS502A22; KBio1_000660; KBio2_000356; KBio2_002924; KBio2_005492; KBio3_001286; EBD5728; NSC3991; Tylenol Arthritis Extended Relief; Acetaminophen, analytical standard; NINDS_000660; Tylenol Infants\" Suspension Drops; BCPP000441; Drixoral Cold & Flu (Salt/Mix); HMS1570N17; HMS1920A03; HMS2091G03; HMS2097N17; HMS2269G20; HMS3268A10; HMS3412D16; HMS3676D16; HMS3714N17; LS-32; Pharmakon1600-01500101; Tylenol Allergy Sinus (Salt/Mix); Midol Regular Strength (Salt/Mix); ACT06727; BCP23431; KS-000002NN; NSC 3991; NSC-3991; STR00901; to_000023; Tylenol Children's Chewable Tablets; Acetaminophen, BioXtra, >=99.0%; Bayer Select Head Cold (Salt/Mix); Robitussin Night Relief (Salt/Mix); Tox21_110397; Tox21_201930; Tox21_300100; ANW-14994; BBL005229; CCG-38901; NSC109028; NSC755853; SBB043758; STL140694; Tylenol Children's Suspension Liquid; ZINC13550868; AKOS000121004; Feverall Sprinkle Caps Junior Strength; Ornex Severe Cold Formula (Salt/Mix); Tox21_110397_1; Bayer Select Allergy-Sinus (Salt/Mix); BCP9000225; CS-2819; DB00316; MCULE-3844920617; NSC-109028; NSC-755853; Paracetamol 100 microg/mL in Methanol; RTR-000905; TRA0127672; IDI1_000660; Sine-Aid, Maximum Strength (Salt/Mix); Sudafed Severe Cold Formula (Salt/Mix); NCGC00016361-01; NCGC00016361-02; NCGC00016361-03; NCGC00016361-04; NCGC00016361-05; NCGC00016361-06; NCGC00016361-08; NCGC00016361-09; NCGC00016361-10; NCGC00016361-12; NCGC00016361-13; NCGC00025267-01; NCGC00025267-02; NCGC00025267-03; NCGC00025267-04; NCGC00025267-05; NCGC00253912-01; NCGC00259479-01; Tylenol Junior Strength Chewable Tablets; AC-23969; H865; HY-66005; Midol PM Night Time Formula (Salt/Mix); SC-19146; Triaminic Sore Throat Formula (Salt/Mix); BCP0726000305; SBI-0051269.P003; AB1009347; Bayer Select Sinus Pain Relief (Salt/Mix); TR-000905; AB00051905; Aspirin Free Anacin Maximum Strength Caplets; Aspirin Free Anacin Maximum Strength Tablets; FT-0658035; Sine-Off Sinus Medicine Caplets (Salt/Mix); ST24028862; ST45179777; 6473-EP1441224A2; 6473-EP2270008A1; 6473-EP2272832A1; 6473-EP2275420A1; 6473-EP2277565A2; 6473-EP2277566A2; 6473-EP2277567A1; 6473-EP2277568A2; 6473-EP2277569A2; 6473-EP2277570A2; 6473-EP2277861A1; 6473-EP2277865A1; 6473-EP2277875A2; 6473-EP2280008A2; 6473-EP2281559A1; 6473-EP2281819A1; 6473-EP2281823A2; 6473-EP2292280A1; 6473-EP2292617A1; 6473-EP2292619A1; 6473-EP2298764A1; 6473-EP2298765A1; 6473-EP2305219A1; 6473-EP2305654A1; 6473-EP2305659A1; 6473-EP2308510A1; 6473-EP2308872A1; 6473-EP2311818A1; 6473-EP2314585A1; 6473-EP2314590A1; 6473-EP2316829A1; 6473-EP2371811A2; C06804; D00217; Q57055; 72238-EP2305640A2; 72238-EP2308867A2; 72238-EP2308870A2; 91399-EP2277876A1; 91399-EP2284149A1; 91399-EP2292614A1; 91399-EP2305636A1; AB00051905-09; AB00051905_10; Aspirin Free Anacin Maximum Strength Gel Caplets; Bayer Select Menstrual Multi-Symptom (Salt/Mix); Contac Cough & Sore Throat Formula (Salt/Mix); L024125; St. Joseph Cold Tablets for Children (Salt/Mix); Tylenol Extra Strength Adult Liquid Pain Reliever; J-001064; J-514275; Paracetamol (Acetaminophen) 1.0 mg/ml in Methanol; SR-01000597517-1; SR-01000597517-2; SR-01000597517-4; BRD-K41524689-001-08-6; F3096-1731; F48B493F-B1FD-410C-AA0A-F40EC71A0689; Bayer Select Maximum Strength Headache Pain Relief Formula; Paracetamol, British Pharmacopoeia (BP) Reference Standard; Paracetamol, European Pharmacopoeia (EP) Reference Standard; Acetaminophen solution, drug standard, 1.0 mg/mL in methanol; Acetaminophen, United States Pharmacopeia (USP) Reference Standard; Acetaminophen, meets USP testing specifications, 98.0-102.0%, powder; Acetaminophen solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material; Acetaminophen, Pharmaceutical Secondary Standard; Certified Reference Material; InChI=1/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10; Paracetamol for equipment qualification, EuropePharmacopoeia (EP) Reference Standard; 4 inverted exclamation marka-Hydroxyacetanilide; 4-Acetamidophenol; N-Acetyl-4-aminophenol; APAP; SOM",
"trade_name": "Tylenol, Panadol",
"abbrev_name": "APAP; Paracetamol",
"description": "analgesic; antipyretic",
"molecular_formula": "C8H9NO2",
"molecular_weight": "151.16",
"state": "solid",
"clearance": "Adults: 0.27 L/h/kg following a 15 mg/kg intravenous (IV) dose [FDA label].\nChildren: 0.34 L/h/kg following a 15 mg/kg intravenous (IV dose) [FDA label]. \n\nMore clearance information for a variety of populations is available on the acetaminophen FDA label [FDA label].",
"volume_of_distribution": "Volume of distribution is about 0.9L/kg. 10 to 20% of the drug is bound to red blood cells [A176357]. \n\nAcetaminophen appears to be widely distributed throughout most body tissues except in fat [FDA label].",
"route_of_elimination": "Acetaminophen metabolites are mainly excreted in the urine. Less than 5% is excreted in the urine as free (unconjugated) acetaminophen and at least 90% of the administered dose is excreted within 24 hours [F4124].",
"protein_binding": "The binding of acetaminophen to plasma proteins is low (ranging from 10% to 25%), when given at therapeutic doses [FDA label].",
"half_life": "The half-life for adults is 2.5 h after an intravenous dose of 15 mg/kg [FDA label]. After an overdose, the half-life can range from 4 to 8 hours depending on the severity of injury to the liver, as it heavily metabolizes acetaminophen [A35815]. More information on half-life for neonates and other populations may be found on the acetaminophen FDA label [FDA label].",
"absorption": "Acetaminophen has 88% oral bioavailability and reaches its highest plasma concentration 90 minutes after ingestion [A35815].\nPeak blood levels of free acetaminophen are not reached until 3 hours after rectal administration of the suppository form of acetaminophen and the peak blood concentration is approximately 50% of the observed concentration after the ingestion of an equivalent oral dose (10-20 mcg/mL) [F4124].\n\nThe percentage of a systemically absorbed rectal dose of acetaminophen is inconsistent, demonstrated by major differences in the bioavailability of acetaminophen after a dose administered rectally. Higher rectal doses or an increased frequency of administration may be used to attain blood concentrations of acetaminophen similar to those attained after oral acetaminophen administration [FDA label].",
"cid": "1983",
"classification": "N",
"indications": "Arthritis; Back pain; Body temperature increased; Cough; Discomfort; Dysmenorrhoea; Dyspepsia; Glucose-6-phosphate dehydrogenase deficiency; Gout; Headache; Influenza; Insomnia; Migraine; Musculoskeletal discomfort; Myalgia; Nasal congestion; Neuralgia; Oropharyngeal discomfort; Oropharyngeal pain; Osteoarthritis; Poor quality sleep; Renal failure; Rheumatic disorder; Rhinitis; Rhinorrhoea; Sinusitis; Tension headache; Toothache; Ulcer",
"side_effects": "Abdominal distension (0.02); Post procedural haemorrhage (0.02); Alveolitis; Anaemia; Body temperature increased; Constipation; Dizziness; Headache; Injection site pain; Injection site reaction; Insomnia; Mental disorder; Nausea; Nervous system disorder; Pruritus; Vomiting",
"atc_codes": "N02AJ13; N02AJ06; N02AJ01; N02BE71; N02BE51; N02AJ17; N02BE01",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T002",
"T408"
],
"function": [
"F0108",
"F0201",
"F020103",
"F02060101",
"F022102",
"F0303",
"F05",
"F0502"
],
"references": [
"RC00001",
"RC00002",
"RC00003",
"RC00004",
"RC00005",
"RC00006",
"RC00007",
"RC00008",
"RC00009",
"RC00010",
"RC00011",
"RC00012",
"RC00019",
"RC00020",
"RC00021",
"RC00022",
"RC00023",
"RC00024",
"RC00025",
"RC00026",
"RC00027",
"RC00028",
"RC00921",
"RC00922",
"RC00923",
"RC03538",
"RC03550",
"RC03571",
"RC03670",
"RC04020",
"RC04268",
"RC04144",
"RC04392",
"RC04516"
]
},
{
"compound_ID": "D0004",
"name": "Actinomycin D",
"synonyms": "actinomycin D; DACTINOMYCIN; Actinomycin C1; 50-76-0; Cosmegen; Actinomycin IV; Dactinomicina; Dactinomycine; Dactinomycinum; Meractinomycin; ACT D; ActD; Dactinomycine [INN-French]; Dactinomycinum [INN-Latin]; UNII-1CC1JFE158; Dactinomicina [INN-Spanish]; Lyovac cosmegen; Dactinomycin D; Oncostatin K; Actinomycin 7; Actinomycin Aiv; GNF-Pf-2290; MLS001424196; 1CC1JFE158; CHEBI:27666; Actinomycin X 1; Acto-D; Dilactone actinomycin D acid; Actactinomycin A IV; Actinomycin C(sub1); Dilactone actinomycindioic D acid; NCGC00161622-02; SMR000469227; DSSTox_CID_31; Cosmegen Lyovac; Lyovac-Cosmegen; AD (VAN); DSSTox_RID_75330; DSSTox_GSID_20031; Actinomycindioic D acid, dilactone; NCI-C04682; NSC 3053; EINECS 200-063-6; Antibiotic from Streptomyces parvullus; Actinomycin-(threo-val-pro-sar-meval); CAS-50-76-0; ACT [antibiotic]; X 97; AI3-26374; GNF-PF-1977; NSC3053; Glycopeptide, 4a; 3H-Phenoxazine-1,9-dicarboxamide, 2-amino-N,N'-bis(hexadecahydro-2,5,9-trimethyl-6,13-bis(1-methylethyl)-1,4,7,11,14-pentaoxo-1H-pyrrolo(2,1-i)(1,4,7,10,13)oxatetra-azacyclohexadecin-10-yl)-4,6-dimethyl-3-oxo-; Specific stereoisomer of N,N'-((2-amino-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-diyl)-bis(carbonylimino(2-hydroxypropylidene)carbonyliminoisobutylidenecarbonyl-1,2-pyrrolidinediylcarbonyl(methylimino)methylenecarbonyl))bis(N-methyl-L-valine) dilactone; Stereoisomer of N,N'-((2-amino-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-diyl)bis(carbonylimino(2-(1-hydroxyethyl)-1-oxo-2,1-ethanediyl)imino(2-(1-methylethyl)-1-oxo-2,1-ethanediyl)-1,2-pyrrolidinediylcarbonyl(methylimino) (1-oxo-2,1-ethanediyl)))bis(N-methyl-L-valine)di-xi-lactone; Dactinomycin [USAN:USP:INN:BAN]; MFCD00005033; ACTINOMYCIN-D; UPCMLD-DP055; SCHEMBL3844; CHEMBL1554; cid_457193; CHEMBL3792960; DTXSID9020031; UPCMLD-DP055:001; UPCMLD-DP055:002; BDBM43866; CTK8F7580; RJURFGZVJUQBHK-IIXSONLDSA-N; HMS2052O17; 2-amino-4,6-dimethyl-3-oxo-N,N'-bis[(6S,9R,10S,13R,18aS)-2,5,9-trimethyl-6,13-bis(1-methylethyl)-1,4,7,11,14-pentaoxohexadecahydro-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-10-yl]-3H-phenoxazine-1,9-dicarboxamide; Tox21_111997; Tox21_202482; BDBM50089528; AKOS030228553; Tox21_111997_1; CCG-101134; DB00970; NC00384; NCGC00090796-01; NCGC00161622-01; NCGC00260031-01; NCGC00271789-02; 2-amino-4,6-dimethyl-3-oxo-1-N,9-N-bis[(3R,6S,7R,10S,16S)-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide; CPD000469227; SAM001246846; FT-0080366; 15160-EP2272827A1; 15160-EP2275420A1; 15160-EP2280012A2; 15160-EP2281815A1; 15160-EP2289892A1; 15160-EP2292615A1; 15160-EP2295055A2; 15160-EP2295416A2; 15160-EP2295426A1; 15160-EP2295427A1; 15160-EP2298748A2; 15160-EP2298764A1; 15160-EP2298765A1; 15160-EP2301928A1; 15160-EP2301933A1; 15160-EP2305640A2; 15160-EP2305642A2; 15160-EP2305671A1; 15160-EP2308833A2; 15160-EP2311453A1; 15160-EP2311808A1; 15160-EP2311827A1; 15160-EP2311829A1; 15160-EP2311842A2; 15160-EP2316832A1; 15160-EP2316833A1; AB00514445-05; 050A760; Q186127; SR-01000763161; SR-01000763161-4; Actinomycin D, from Streptomyces sp., >=95% (HPLC); Actinomycin D, from Streptomyces sp., ~98% (HPLC); BRD-K70578146-001-01-8; BRD-K70578146-001-04-2; UNII-0OCC969V50 component RJURFGZVJUQBHK-IIXSONLDSA-N; Dactinomycin, United States Pharmacopeia (USP) Reference Standard; Actinomycin D, for fluorescence, >=90% (HPLC), from Streptomyces sp.; Actinomycin D, from Streptomyces sp., suitable for cell culture, >=95%; 1-N,9-N-bis[(6S,9R,10S,13R,18aS)-2,5,9-trimethyl-1,4,7,11,14-pentaoxo-6,13-bis(propan-2-yl)-hexadecahydro-1H-pyrrolo[2,1-i]1-oxa-4,7,10,13-tetraazacyclohexadecan-10-yl]-2-amino-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-dicarboxamide; 2-amino-4,6-dimethyl-3-oxo-1-N,9-N-bis-[(18aS)-10c,14,17-trimethyl-5,8,12,15,18-pentaoxo-6c,13t-di(propan-2-yl)-18ar-hexadecahydro-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-9c-yl]-3H-phenoxazine-1,9-dicarboxamide; 2-amino-4,6-dimethyl-3-oxo-N1,N9-bis[(3R,6S,7R,10S,16S)-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide; 2-amino-N,N''''''''-bis[(3R,6S,7R,10S,16S)-3,10-diisopropyl-2,5,9,12,15-pentaketo-7,11,14-trimethyl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-3-keto-4,6-dimethyl-phenoxazine-1,9-dicarboxamide; 2-amino-N,N''''-bis[(3R,6S,7R,10S,16S)-3,10-diisopropyl-2,5,9,12,15-pentaketo-7,11,14-trimethyl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-3-keto-4,6-dimethyl-phenoxazine-1,9-dicarboxamide; 2-amino-N,N''-bis[(3R,6S,7R,10S,16S)-3,10-diisopropyl-2,5,9,12,15-pentaketo-7,11,14-trimethyl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-3-keto-4,6-dimethyl-phenoxazine-1,9-dicarboxamide; 2-amino-N,N'-bis(hexadecahydro-2,5,9-trimethyl-6,13-bis(1-methylethyl)-1,4,7,11,14-pentaoxo-1H-pyrrolo(2,1-i)(1,4,7,10,13)oxatetra-azacyclohexadecin-10-yl)-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-dicarboxamide; 2-amino-N1,N9-bis[(3R,6S,7R,10S,16S)-3,10-diisopropyl-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxo-phenoxazine-1,9-dicarboxamide; 2-azanyl-4,6-dimethyl-3-oxidanylidene-N1,N9-bis[(3R,6S,7R,10S,16S)-7,11,14-trimethyl-2,5,9,12,15-pentakis(oxidanylidene)-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide",
"trade_name": "Cosmegen",
"abbrev_name": "Dactinomycin",
"description": "binds to DNA and inhibits RNA synthesis",
"molecular_formula": "C62H86N12O16",
"molecular_weight": "1255.4",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "0.05",
"half_life": "36 hours",
"absorption": "poorly absorbed from gastrointestinal tract",
"cid": "457193",
"classification": "L",
"indications": "Ewing's sarcoma; Gestational trophoblastic tumour; Neoplasm; Neoplasm malignant; Nephroblastoma; Rhabdomyosarcoma; Testis cancer",
"side_effects": "Diarrhoea (0.3); Stomatitis (0.3)",
"atc_codes": "L01DA01",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0005",
"name": "Amiodarone",
"synonyms": "amiodarone; 1951-25-3; Cordarone; Amiodarona; Amiodaronum; Amjodaronum; Amiodaronum [INN-Latin]; Amiodarona [INN-Spanish]; Pacerone; L 3428; L-3428; UNII-N3RQ532IUT; (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone; C25H29I2NO3; 2-Butyl-3-(3,5-diiodo-4-(2-diethylaminoethoxy)benzoyl)benzofuran; 2-n-Butyl-3',5'-diiodo-4'-N-diethylaminoethoxy-3-benzoylbenzofuran; SKF 33134-A; EINECS 217-772-1; CHEMBL633; BRN 1271711; N3RQ532IUT; 2-Butyl-3-benzofuranyl 4-(2-(diethylamino)ethoxy)-3,5-diiodophenyl ketone; 2-Butyl-3-benzofuranyl p-((2-diethylamino)ethoxy)-m,m-diiodophenyl ketone; CHEBI:2663; Amidorone; IYIKLHRQXLHMJQ-UHFFFAOYSA-N; 2-Butyl-3-(3,5-diiodo-4-(beta-diethylaminoethoxy)benzoyl)benzofuran; 2-Butyl-3-(4'-beta-N-diethylaminoethoxy-3',5'-diiodobenzoyl)benzofuran; Atlansil; (2-Butyl-3-benzofuranyl)(4-(2-(diethylamino)ethoxy)-3,5-diidophenyl)methanone; Ketone, 2-butyl-3-benzofuranyl 4-(2-(diethylamino)ethoxy)-3,5-diiodophenyl; (2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-diiodophenoxy}ethyl)diethylamine; Methanone, (2-butyl-3-benzofuranyl)(4-(2-(diethylamino)ethoxy)-3,5-diiodophenyl)-; NCGC00015096-07; Kordaron; Amiodarone Base; DSSTox_CID_2592; (2-Butylbenzofuran-3-yl)(4-(2-(diethylamino)ethoxy)-3,5-diiodophenyl)methanone; DSSTox_RID_76649; Methanone, (2-butyl-3-benzofuranyl)[4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl]-; DSSTox_GSID_22592; (2-butyl-1-benzofuran-3-yl)(4-{[2-(diethylamino)ethyl]oxy}-3,5-diiodophenyl)methanone; CAS-1951-25-3; Amiodarone [USAN:BAN:INN]; NCGC00015096-12; Amiodarone (USAN/INN); CAS-19774-82-4; Tranquerone; AmiodaroneHCl; Amiodarone [USAN:INN:BAN]; CCRIS 9360; 2-Butyl-3-benzofuranyl 4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl ketone; BBI; Labaz (Salt/Mix); Cyto8E2; Cordarone (Salt/Mix); Spectrum_000261; Prestwick0_000409; Prestwick1_000409; Prestwick2_000409; Prestwick3_000409; Spectrum2_001813; Spectrum3_001050; Spectrum4_001190; Spectrum5_001533; Lopac-A-8423; BIDD:PXR0146; CBiol_001740; Lopac0_000122; SCHEMBL16284; BSPBio_000338; BSPBio_001574; BSPBio_002580; KBioGR_000294; KBioGR_001859; KBioSS_000294; KBioSS_000741; 5-18-02-00353 (Beilstein Handbook Reference); BIDD:GT0425; DivK1c_000079; SPBio_001825; SPBio_002277; BPBio1_000372; cid_441325; GTPL2566; DTXSID7022592; BDBM18957; CTK4G7797; KBio1_000079; KBio2_000294; KBio2_000741; KBio2_002862; KBio2_003309; KBio2_005430; KBio2_005877; KBio3_000587; KBio3_000588; KBio3_001800; NINDS_000079; Bio1_000026; Bio1_000515; Bio1_001004; Bio2_000294; Bio2_000774; HMS1791O16; HMS1989O16; HMS2089C07; SKF-33134-A (Salt/Mix); SKF-33134A; ZINC3830212; Tox21_110083; STK529812; 2-Butyl-3-benzofuranyl-4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl ketone; AKOS005462717; Tox21_110083_1; API0001453; CCG-204217; CS-2834; DB01118; MCULE-4156227717; (2-butylbenzofuran-3-yl)-[4-(2-diethylaminoethoxy)-3,5-diiodo-phenyl]-methanone; IDI1_000079; IDI1_034044; QTL1_000008; NCGC00015096-01; NCGC00015096-02; NCGC00015096-03; NCGC00015096-04; NCGC00015096-05; NCGC00015096-06; NCGC00015096-08; NCGC00015096-09; NCGC00015096-10; NCGC00015096-11; NCGC00015096-13; NCGC00015096-14; NCGC00015096-17; NCGC00024242-03; NCGC00024242-04; NCGC00024242-05; NCGC00024242-06; CC-24083; HY-14187; LS-87088; NCI60_041885; SC-18813; SBI-0050110.P003; AX8114028; AB00053422; FT-0601533; ST51014902; UNM000001215003; C06823; D02910; 20514-EP2272832A1; 20514-EP2305668A1; 20514-EP2314585A1; AB00053422-17; AB00053422_18; AB00053422_19; 951A253; C-23400; L001174; Q410061; W-107695; BRD-K17561142-003-16-8; F2173-1018; 2-Butyl-3-(3,5-diiodo-4-(.beta.-diethylaminoethoxy)benzoyl)benzofuran; 2-Butyl-3-(4'-.beta.-N-diethylaminoethoxy-3',5'-diiodobenzoyl)benzofuran; (2-butyl-1-benzofuran-3-yl)-[4-(2-diethylaminoethoxy)-3,5-diiodophenyl]methanone; (2-Butyl-benzofuran-3-yl)(4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl)methanone #; (2-Butylbenzofuran-3-yl)(4-(2-(diethylamino)-ethoxy)-3,5-diiodophenyl)methanone; (2-butylbenzofuran-3-yl)-[4-(2-diethylaminoethyloxy)-3,5-diiodo-phenyl]methanone; (2-n-butyl-3-benzofuranyl) [4-[2-(diethylamino)ethoxyl]-3,5-diiodophenyl] methanone; (2-n-butyl-3-benzofuranyl)[4-[2-(diethylamino)ethoxyl]-3,5-diiodophenyl]methanone; 4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl 2-butylbenzo[b]furan-3-yl ketone; Methanone,(2-butyl-3-benzofuranyl)[4-[2-(diethyloxidoamino)ethoxy]-3,5-diiodophenyl]-",
"trade_name": "Cordarone, Nexterone",
"abbrev_name": "",
"description": "anti-arrhythmic drug",
"molecular_formula": "C25H29I2NO3",
"molecular_weight": "645.3",
"state": "solid",
"clearance": "* 90-158 mL/h/kg [Healthy with a single dose IV (5 mg/kg over 15 min)]\n* 100 mL/h/kg [Normal subjects > 65 yrs]\n* 150 mL/h/kg [younger subjects]\n* 220 and 440 mL/h/kg [patients with VT and VF]",
"volume_of_distribution": "",
"route_of_elimination": "Amiodarone is eliminated primarily by hepatic metabolism and biliary excretion and there is negligible excretion of amiodarone or DEA in urine.",
"protein_binding": ">96%",
"half_life": "58 days (range 15-142 days)",
"absorption": "Slow and variable (about 20 to 55% of an oral dose is absorbed).",
"cid": "2157",
"classification": "C",
"indications": "Agitation; Arrhythmia; Asthma; Atrial fibrillation; Drug interaction; Hyperkinesia; Pulmonary fibrosis; Respiratory failure; Sinus arrhythmia; Sudden death; Tachyarrhythmia; Ventricular arrhythmia; Ventricular tachycardia; Wolff-Parkinson-White syndrome",
"side_effects": "Cardiogenic shock (0.01); Alanine aminotransferase increased; Aspartate aminotransferase increased; Atrial fibrillation; Atrioventricular block; Body temperature increased; Bradycardia; Cardiac arrest; Cardiac failure congestive; Diarrhoea; Electrocardiogram QT prolonged; Hypotension; Liver function test abnormal; Nausea; Nodal arrhythmia; Pulmonary oedema; Renal impairment; Shock; Thrombocytopenia; Ventricular fibrillation; Ventricular tachycardia; Vomiting",
"atc_codes": "C01BD01",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T002",
"T004",
"T005",
"T019",
"T021",
"T021001",
"T021002",
"T022",
"T026",
"T032",
"T387",
"T408"
],
"function": [
"F010401",
"F0105",
"F010503",
"F0108",
"F0201",
"F02010103",
"F02010201",
"F020103",
"F020403",
"F020601",
"F02060101",
"F02060201",
"F0303",
"F05",
"F0504",
"F0701",
"F070102"
],
"references": [
"RC00112",
"RC00113",
"RC00114",
"RC00115",
"RC00116",
"RC00227",
"RC00228",
"RC00229",
"RC00230",
"RC00231",
"RC00247",
"RC00248",
"RC00249",
"RC00250",
"RC00251",
"RC00252",
"RC00253",
"RC00254",
"RC00283",
"RC00284",
"RC00285",
"RC00286",
"RC00287",
"RC00288",
"RC00289",
"RC00290",
"RC00323",
"RC00324",
"RC00325",
"RC00326",
"RC00327",
"RC00328",
"RC00354",
"RC00355",
"RC00356",
"RC00357",
"RC00358",
"RC00379",
"RC00384",
"RC00390",
"RC00392",
"RC00393",
"RC00394",
"RC00409",
"RC00410",
"RC00411",
"RC00424",
"RC00429",
"RC00434",
"RC00435",
"RC00976",
"RC03446",
"RC03533",
"RC03549",
"RC03760",
"RC03825",
"RC04664",
"RC04025",
"RC04149",
"RC04273",
"RC04397",
"RC04521",
"RC04650",
"RC04678",
"RC04679",
"RC04880",
"RC05006",
"RC05016",
"RC05026",
"RC05040",
"RC05054"
]
},
{
"compound_ID": "D0006",
"name": "Amitriptyline",
"synonyms": "amitriptyline; Amitriptylin; Elavil; Damitriptyline; Triptanol; 50-48-6; Damilen; Lantron; Seroten; Flavyl; Proheptadiene; Adepress; Triptisol; Tryptanol; Adepril; Amitriprolidine; Amitryptiline; Triptilin; Redomex; Amitriptilina; Amitriptylinum; Amytriptylin; Damilan; Ro 4-1575; Amitriptylin [German]; Amitriptilina [Italian]; Amitriptyline [INN:BAN]; Amitril; Sarotex; Amitriptylinum [INN-Latin]; Amitriptilina [INN-Spanish]; MK 230; 5-(3-Dimethylaminopropylidene)-10,11-dihydro-5H-dibenzo(a,d)cycloheptene; 3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N,N-dimethylpropan-1-amine; CCRIS 9174; UNII-1806D8D52K; HSDB 3007; 10,11-Dihydro-5-(gamma-dimethylaminopropylidene)-5H-dibenzo(a,d)cycloheptene; N 750; 3-(10,11-Dihydro-5H-dibenzo(a,d)cyclohepten-5-ylidene)-N,N-dimethyl-1-propanamine; EINECS 200-041-6; CHEMBL629; 5-(3'-Dimethylaminopropylidene)-dibenzo-(a,d)(1,4)-cycloheptadiene; BRN 2217885; 3-(10,11-Dihydro-5H-dibenzo(a,d)cyclohepten-5-yliden)-N,N-dimethylpropylamin; 1-Propanamine, 3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethyl-; CHEBI:2666; KRMDCWKBEZIMAB-UHFFFAOYSA-N; 5-(gamma-Dimethylaminopropylidine)-5H-dibenzo(a,d)(1,4)cycloheptadiene; Limbitrol; 5-(gamma-Dimethylaminopropylidene)-10,11-dihydro-5H-dibenzo(a,d)cycloheptene; 10,11-Dihydro-N,N-dimethyl-5H-dibenzo(a,d)heptalene-delta(sup 5),gamma-propylamine; 1806D8D52K; Amitryptyline; Amytriptiline; Laroxil; Elanil; 5-(gamma-Dimethylaminopropylidene)-5H-Dibenzo[a,d][1,4]cycloheptadiene; 10,11-Dihydro-N,N-dimethyl-5H-dibenzo(a,d)heptalene-delta(5),gamma-propylamine; 5-(3-Dimethylaminopropylidene)-10,11-dihydro-5H-dibenzo(a,d)cycloheptatriene; 1-Propanamine, 3-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-ylidene)-N,N-dimethyl-; 5H-Dibenzo(a,d)cycloheptene-delta5,gamma-propylamine, 10,11-dihydro-N,N-dimethyl-; W-109252; 5-(3'-Dimethylaminopropylidene)-dibenzo-[a,d][1,4]-cycloheptadiene; 10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5H-dibenzo[a,d]cycloheptene; 5-(gamma-Dimethylaminopropylidene)-5H-dibenzo(a,d)(1,4)cycloheptadiene; 3-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethyl-1-propanamine; 3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethylpropan-1-amine; 5H-Dibenzo(a,d)cycloheptene-delta(sup 5),gamma-propylamine, 10,11-dihydro-N,N-dimethyl-; 5H-Dibenzo[a,d]cycloheptene-.delta.5,.gamma.-propylamine, 10,11-dihydro-N,N-dimethyl-; Laroxyl (TN); Amitriptyline (INN); NSC169910; NCGC00015095-09; CAS-549-18-8; Domical (Salt/Mix); Laroxyl (Salt/Mix); Lentizol (Salt/Mix); Vanatrip (Salt/Mix); Triptizol (Salt/Mix); Spectrum_000044; Prestwick0_000074; Prestwick1_000074; Prestwick2_000074; Prestwick3_000074; Spectrum2_000101; Spectrum3_000298; Spectrum4_000146; Spectrum5_000806; Lopac-A-8404; EC 200-041-6; SCHEMBL7824; Lopac0_000112; Oprea1_479304; BSPBio_000287; BSPBio_001836; GTPL200; KBioGR_000592; KBioGR_002261; KBioSS_000424; KBioSS_002262; ARONIS24381; BIDD:GT0115; DivK1c_000766; SPBio_000082; SPBio_002208; BPBio1_000317; DTXSID7022594; KBio1_000766; KBio2_000424; KBio2_002261; KBio2_002992; KBio2_004829; KBio2_005560; KBio2_007397; KBio3_001336; KBio3_002741; BBC/541; cMAP_000001; NINDS_000766; ZINC968257; 5-(3-dimethylaminopropylidene)dibenzo[a,d][1,4]-cycloheptadiene; BCP09083; ZX-AS004743; BBL028529; BDBM50020712; PDSP1_001564; PDSP2_001548; SBB080793; STK525215; 5-(3-Dimethylaminopropylidene)-5H-dibenzo[a,d]-10,11-dihydrocycloheptene; 5-(gamma-Dimethylaminopropylidene)-5H-dibenzo[a,d]10,11-dihydrocycloheptene; AKOS000512694; API0001457; CCG-204207; DB00321; MCULE-3537115467; 3-(10,11-Dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N,N-dimethyl-1-propanamine; IDI1_000766; MRF-0000533; NCGC00015095-01; NCGC00015095-02; NCGC00015095-03; NCGC00015095-04; NCGC00015095-05; NCGC00015095-06; NCGC00015095-07; NCGC00015095-08; NCGC00015095-10; NCGC00015095-11; NCGC00015095-12; NCGC00024433-04; NCGC00183047-01; dimethyl({3-[(2Z)-tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene]propyl})amine; LS-60747; SBI-0050100.P004; AB00514631; FT-0653242; 1409-EP2269989A1; 1409-EP2275420A1; 1409-EP2277861A1; 1409-EP2298313A1; 1409-EP2298731A1; 1409-EP2298764A1; 1409-EP2298765A1; 1409-EP2305652A2; 1409-EP2305669A1; 1409-EP2314585A1; C06824; D07448; Q58397; AB00053417-12; AB00053417_13; AB00053417_14; 412A072; L001041; BRD-K53737926-003-05-4; BRD-K53737926-003-14-6; (3-(5,6-dihydrodibenzo[b,f][7]annulen-11-ylidene)propyl)dimethylamine; 5-(.gamma.-Dimethylaminopropylidene)-5H-Dibenzo[a,d][1,4]cycloheptadiene; 5-(.gamma.-Dimethylaminopropylidine)-5H-dibenzo(a,d)(1,4)cycloheptadiene; 10,11-Dihydro-5-(.gamma.-dimethylaminopropylidene)-5H-dibenzo(a,d)cycloheptene; 10,11-dihydro-N,N-dimethl-5H-dibenzo[a,d]cycloheptene-(delta(5, gamma))-propylamine; 10,11-Dihydro-N,N-dimethyl-5H-dibenzo(a,d)heptalene-.DELTA.5,.gamma.-propylamine; 3-(5,6-dihydrodibenzo[[?],[?]][7]annulen-11-ylidene)-N,N-dimethyl-propan-1-amine; 5-(.gamma.-Dimethylaminopropylidene)-10,11-dihydro-5H-dibenzo(a,d)cycloheptene; 5-(.gamma.-Dimethylaminopropylidene)-5H-dibenzo(a,d)-10,11-dihydrocycloheptene; 3-(10,11-Dihydro-5H-dibenzo-[a,d]cyclohepten-5-ylidene)-N,N-dimethyl-1-propanamine, hydrochloride; 5H-Dibenzo(a,d)cycloheptene-.delta.(sup 5),.gamma.-propylamine, 10,11-dihydro-N,N-dimethyl-; 5H-Dibenzo[a,d]cycloheptene-Delta5,gamma-propylamine, 10,11-dihydro-N,N-dimethyl- (6CI,8CI) 5-(gamma-Dimethylaminopropylidene)-10,11-dihydro-5H-dibenzo[a,d]cycloheptene; dimethyl({3-[(2E)-tricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-2-ylidene]propyl})amine",
"trade_name": "Elavil",
"abbrev_name": "",
"description": "tricyclic antidepressant (TCA) with analgesic properties",
"molecular_formula": "C20H23N",
"molecular_weight": "277.4",
"state": "solid",
"clearance": "The mean systemic clearance (Cls) is 39.24 ± 10.18 L/h (range: 24.53-53.73 L/h) [FDA Label]. No clear effect of older age on the pharmacokinetics of amitriptyline has been determined, although it is possible that clearance may be decreased [A174661].",
"volume_of_distribution": "The apparent volume of distribution (Vd)beta estimated after intravenous administration is 1221 L±280 L; range 769-1702 L (16±3 L/kg) [FDA Label]. It is found widely distributed throughout the body [A174661]. Amitriptyline and the main metabolite _nortriptyline_ pass across the placental barrier and small amounts are present in breast milk [FDA Label].",
"route_of_elimination": "Amitriptyline and its metabolites are mainly excreted in the urine. Virtually the entire dose is excreted as glucuronide or sulfate conjugate of metabolites, with approximately 2% of unchanged drug appearing in the urine [FDA Label]. 25-50% of a single orally administered dose is excreted in urine as inactive metabolites within 24 hours [FDA label]. Small amounts are excreted in feces via biliary elimination [F3454].",
"protein_binding": "Very highly protein bound (95%) in plasma and tissues [FDA Label].",
"half_life": "The elimination half-life (t1⁄2 beta) amitriptyline after peroral administration is about 25 hours (24.65 ± 6.31 hours; range 16.49-40.36 hours) [FDA Label].",
"absorption": "Rapidly absorbed following oral administration (bioavailability is 30-60% due to first pass metabolism). Peak plasma concentrations are reached 2-12 hours after oral or intramuscular administration [FDA label]. Steady-state plasma concentrations vary greatly and this variation may be due to genetic differences [F3454].",
"cid": "2160",
"classification": "N",
"indications": "Depressive symptom",
"side_effects": "",
"atc_codes": "N06AA09; N06CA01",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0105",
"F020103",
"F020403",
"F021203",
"F0504"
],
"references": [
"RC01048",
"RC01073",
"RC01090",
"RC03623",
"RC03624",
"RC04881"
]
},
{
"compound_ID": "D0007",
"name": "Amphetamine",
"synonyms": "AMPHETAMINE; Amfetamine; 1-phenylpropan-2-amine; dl-Amphetamine; Desoxynorephedrine; Phenamine; 1-Phenyl-2-aminopropane; alpha-Methylphenethylamine; Benzedrine; Fenopromin; Phenedrine; Elastonon; Mydrial; 300-62-9; beta-Aminopropylbenzene; 1-Methyl-2-phenylethylamine; Norephedrane; 1-Phenyl-2-propylamine; Actedron; Allodene; Anorexide; Anorexine; Benzebar; Benzolone; Isoamyne; Mecodrin; Novydrine; Oktedrin; Ortedrine; Percomon; Profamina; Simpatina; Adipan; Isomyn; Finam; Protioamphetamine; alpha-Methylbenzeneethaneamine; 3-Phenyl-2-propylamine; Psychedrine; amfetaminum; Fenylo-izopropylaminyl; (Phenylisopropyl)amine; dl-alpha-Methylphenethylamine; 1-Phenyl-2-propanamine; 2-Amino-1-phenylpropane; racemic-Desoxynor-ephedrine; (+-)-Benzedrine; Benzeneethanamine, .alpha.-methyl-; Amfetamina [Italian]; Anfetamina [Spanish]; beta-Phenylisopropylamin; Amfetamine [INN:BAN]; dl-Benzedrine; rac-Amphetamine; Amfetaminum [INN-Latin]; 1-Phenyl-2-amino-propan; Amfetamina [INN-Spanish]; beta-Aminopropylbenzene (VAN); .alpha.-Methylbenzeneethanamine; DELCOBESE; Fenylo-izopropylaminyl [Polish]; Benzeneethanamine, alpha-methyl-; (+-)-alpha-Methylphenethylamine; Benzeneethanamine, alpha-methyl-, (+-)-; 1-Phenyl-2-aminopropane (VAN); HSDB 3287; beta-Phenylisopropylamin [German]; (+-)-alpha-Methylphenylethylamine; beta-Phenylisopropylamine; (+-)-alpha-Methylbenzeneethanamine; 1-Phenyl-2-amino-propan [German]; .beta.-Aminopropylbenzene; EINECS 200-458-3; EINECS 206-096-2; NSC 27159; dl-1-Phenyl-2-aminopropane; Phenethylamine, alpha-methyl-, (+-)-; Levoamphetamine; Dexedrine; Phenethylamine, alpha-methyl-; AI3-02438; KWTSXDURSIMDCE-UHFFFAOYSA-N; Dexacaps; 60-15-1; Phenethylamine, .alpha.-methyl-, (.+/-.)-; Benzeneethanamine, .alpha.-methyl-, (.+/-.)-; DEA No. 1100; Thyramine; Desoxynorephedrin; levo-Amphetamine; Adderall XR; Amphetamine salts; Dyanavel XR; Amphetamine, its salts, optical isomers, and salts of its optical isomers; DEXTROAMP SACCHARATE, AMP ASPARTATE, DEXTROAMP SULFATE AND AMP SULFATE; Phenethylamine, D-.alpha.-methyl-; D-1-Phenyl-2-aminopropan; Amphetamine resin complex; beta-phenyl-isopropylamine; Amphetamine Sulfate (2:1); Amphetamin; Adderal; Isoamycin; amphetamine-; 3-AMINO-1-PROPYLBENZENE; Adzenys ER; Amfetamin (TN); Amfetamine (INN); component of Amodex; Phenethylamine, d-; S(+)-Amphetamine; (plusmn)-amphetamine; Noclon (Salt/Mix); Norephedrine, deoxy-; Fenamin (Salt/Mix); Ortenal (Salt/Mix); Zedrine (Salt/Mix); (+/-)-Benzedrine; Euphodyn (Salt/Mix); Stimulan (Salt/Mix); Fabedrine (Salt/Mix); Oraldrina (Salt/Mix); Vapedrine (Salt/Mix); Amphetamine mixture with Dextroamphetamine; Sympametin (Salt/Mix); component of Biphetamine; Phenethylamine, (+)-; 3-phenylpropan-2-amine; (.+/-.)-Benzedrine; Benzeneethanamine, (S)-; .beta.-Phenylisopropylamin; alpha-methyl phenethylamine; AMPHETAMINE, (D); (+/-)-Desoxynorephedrine; alpha-Methylphenylethylamine; CHEMBL405; .beta.-Phenylisopropylamine; SCHEMBL8858; .alpha.-Methylphenethylamine; Oprea1_447423; d/l-Amphetamine hydrochloride; (.+/-.)-Desoxynorephedrine; .alpha.-Methylphenylethylamine; DivK1c_000991; WLN: ZY1&1R; (S)-.alpha.-Phenylethylamine; d-.alpha.-Methylphenethylamine; CHEBI:2679; GTPL4804; WLN: ZY1&1R -D; .alpha.-Methylbenzeneethaneamine; DL-.alpha.-Methylphenethylamine; DTXSID4022600; HMS503G03; KBio1_000991; Phenethylamine, .alpha.-methyl-; (+/-)-beta-Phenylisopropylamine; (+)-.alpha.-Methylphenethylamine; CHEBI:132233; NINDS_000991; rac-(2R)-1-phenylpropan-2-amine; (+)-.alpha.-Methylphenylethylamine; NSC27159; NSC73713; .alpha.-Methylphenethylamine, d-form; BDBM50005246; NSC-27159; NSC-73713; (S)-(+)-.beta.-Phenylisopropylamine; Phenethylamine, alpha-methyl, (+-)-; (.+/-.)-.beta.-Phenylisopropylamine; DB00182; LS-1148; LS-1428; MCULE-4193952437; NT-0201; (.+/-.)-.alpha.-Methylphenethylamine; IDI1_000991; rac-Amphetamine 1.0 mg/ml in Methanol; (.+/-.)-.alpha.-Methylphenylethylamine; Benzeneethanamine, .alpha.-methyl-, (S)-; DB-047697; FT-0631912; FT-0694835; 41820-21-7; 3797-EP2275420A1; 3797-EP2295439A1; 3797-EP2298734A2; 3797-EP2298742A1; 3797-EP2298779A1; 3797-EP2305219A1; 3797-EP2305648A1; 3797-EP2305656A1; 3797-EP2308867A2; 3797-EP2308870A2; 3797-EP2311801A1; 3797-EP2311802A1; 3797-EP2311803A1; 3797-EP2314571A2; 3797-EP2371814A1; C07514; D07445; Benzeneethanamine, .alpha.-methyl-, (.alpha.S)-; L000864; Q179452; DL-Amphetamine solution, 1 mg/mL in methanol, drug standard; ALPHA-METHYL-BENZENEETHANAMIDE (SEE ALSO DL-AMPHETAMINE SULFATE); AMPHETAMINE (SEE ALSO: D-AMPHETAMINE (51-64-9) & AMPHETAMINE SULFATE (60-13-9)); (+/-)-Amphetamine solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material; (+/-)-Amphetamine solution, 100 mug/mL in methanol, ampule of 1 mL, certified reference material",
"trade_name": "Evekeo, Adderall",
"abbrev_name": "",
"description": "central nervous system stimulant",
"molecular_formula": "C9H13N",
"molecular_weight": "135.21",
"state": "liquid",
"clearance": "The reported normal clearance rate is of 0.7 L.h/kg. This clearance has been shown to get significantly reduced in patients with renal impairment reaching a value of 0.4 L.h/kg.[F3244]",
"volume_of_distribution": "Amphetamine is reported to have a high volume of distribution of 4 L/kg.[A174292]",
"route_of_elimination": "The elimination of amphetamine is mainly via the urine from which about 40% of the excreted dose is found as unchanged amphetamine. About 90% of the administered amphetamine is eliminated 3 days after oral administration.[A174292] The rate of elimination of amphetamine highly depends on the urine pH in which acidic pH will produce a higher excretion of amphetamine and basic pH produces a lower excretion.[L5206]",
"protein_binding": "The reported protein binding of amphetamine is relatively low and register to be of 20%.[A174292]",
"half_life": "The half-life of amphetamine highly depends on the isomer. For d-amphetamine, the reported half-life is of approximately 9-11 hours while for l-amphetamine the half-life is reported to be of 11-14 hours. The urine pH can modify this pharmacokinetic parameter which can vary from 7 hours in acid urine to 34 hours for alkaline urine.[A174292]",
"absorption": "Amphetamine is well absorbed in the gut and as it is a weak base hence the more basic the environment the more of the drug is found in a lipid-soluble form and the absorption through lipid-rich cell membranes is highly favored.[A174292] The peak response of amphetamine occurs 1-3 hours after oral administration and approximately 15 minutes after injection and it presents a bioavailability of over 75%.[L5206] Complete amphetamine absorption is usually done after 4-6 hours.[L5209]",
"cid": "3007",
"classification": "N",
"indications": "Affect lability; Agitation; Decreased appetite; Distractibility; Electroencephalogram abnormal; Hyperkinesia; Learning disability; Memory impairment; Mental disorder; Mood swings; Narcolepsy; Psychotic disorder",
"side_effects": "",
"atc_codes": "N06BA01",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0008",
"name": "Arsenic trioxide",
"synonyms": "MFCD00003433; arsenic(iii)oxide,arsenic trioxide,arsenous acid anhydride,arsenous acid,arsenic sesquioxide,white arsenic; IKWTVSLWAPBBKU-UHFFFAOYSA-N; NSC92859; Arsenic(III) oxide, primary standard; AKOS015903780; DB01169; Arsenic(III) oxide, p.a., 99.0%; TR-004471; Arsenic(III) oxide, 99.995% trace metals basis; Arsenic(III) oxide, ReagentPlus(R), >=99.0%; Arsenic(III) oxide, SAJ first grade, >=99.0%; Arsenic(III) oxide, ACS reagent (primary standard); J-006219; Arsenic(III) oxide, puriss. p.a., ACS reagent, 99.95-100.05% (RT); Arsenic(III) oxide, certified reference material for titrimetry, certified by BAM, according to ISO 17025, >99.5%",
"trade_name": "Trisenox",
"abbrev_name": "Arsenic(III) oxide; White arsenic",
"description": "chemotherapeutic agent of idiopathic function",
"molecular_formula": "As2O3",
"molecular_weight": "197.841",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "Trivalent arsenic is mostly methylated in humans and excreted in urine.",
"protein_binding": "75% bound",
"half_life": "",
"absorption": "",
"cid": "261004",
"classification": "L",
"indications": "",
"side_effects": "",
"atc_codes": "L01XC06; L01XX27",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T002",
"T408"
],
"function": [
"F0108",
"F0201",
"F0303"
],
"references": [
"RC04029",
"RC04153",
"RC04277",
"RC04401",
"RC04525"
]
},
{
"compound_ID": "D0009",
"name": "Antimycin A",
"synonyms": "Antimycin A; Antipiricullin; Fintrol; Virosin; Antimycin A1b; antimycin A1; Caswell No. 052B; Antimycin-A; 1397-94-0; CCRIS 924; HSDB 6417; UNII-75G3NMU1TS; EPA Pesticide Chemical Code 006314; 75G3NMU1TS; CHEMBL211501; CHEBI:22584; (2R,3S,6S,7R,8R)-3-[(3-formamido-2-hydroxybenzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl 3-methylbutanoate; 642-15-9; [(2r,3s,6s,7r,8r)-3-[(3-Formamido-2-Oxidanyl-Phenyl)carbonylamino]-8-Hexyl-2,6-Dimethyl-4,9-Bis(Oxidanylidene)-1,5-Dioxonan-7-Yl] 3-Methylbutanoate; 116095-18-2; SR-05000002233; SCHEMBL218354; UNII-8S75R39Y6J; CHEBI:2762; DTXSID3058668; 8S75R39Y6J; AIDS032154; ZINC5224254; BDBM50191588; AKOS015889205; BCP9000305; CCG-208457; VA10306; NCGC00017338-02; NCGC00017338-03; NCGC00017338-04; NCGC00017338-05; NCGC00142516-01; NCGC00142516-02; NCGC00142516-03; LS-21350; ST057184; SR-05000002233-2; SR-05000002233-3; UNII-8771CCP8LT component UIFFUZWRFRDZJC-SBOOETFBSA-N; UNII-8S75R39Y6J component UIFFUZWRFRDZJC-SBOOETFBSA-N; (3S,6S,2R,7R,8R)-3-[(3-carbonylamino-2-hydroxyphenyl)carbonylamino]-8-hexyl-2, 6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl 3-methylbutanoate; [(2R,3S,6S,7R,8R)-3-[(3-formamido-2-hydroxy-benzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 3-methylbutanoate; 3-Methylbutanoic acid 3-[[3-(formylamino)-2-hydroxybenzoyl]amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl ester; AWB; Butanoic acid, 2(or3)-methyl-,(2R,3S,6S,7R,8R)-3-[[3-(formylamino)-2-hydroxybenzoyl]amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-ylester (9CI); Butanoic acid, 3-methyl-, 3-((3-(formylamino)-2-hydroxybenzoyl)amino)-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl ester, (2R-(2R*,3S*,6S*,7R*,8R*))-; isovaleric acid 8-ester with 3-formamido-N-(7-hexyl-8-hydroxy-4,9-dimethyl-2,6-dioxo-1,5-dioxonan-3-yl)salicylamide",
"trade_name": "Fintrol (chemical piscicide)",
"abbrev_name": "",
"description": "a secondary metabolites produced by Streptomyces bacteria; Classical respiratory inhibitors; Inhibits cytochrome b-c1; complex III inhibitor",
"molecular_formula": "C28H40N2O9",
"molecular_weight": "548.6",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "14957",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T004",
"T004001",
"T004013"
],
"function": [
"F02010202",
"F020103",
"F02040101",
"F020403",
"F0402"
],
"references": [
"RC00516",
"RC00517",
"RC00909",
"RC00963",
"RC01160",
"RC03439",
"RC03600",
"RC04901",
"RC04902",
"RC04903",
"RC04909"
]
},
{
"compound_ID": "D0010",
"name": "Acetylsalicylic acid",
"synonyms": "aspirin; ACETYLSALICYLIC ACID; 50-78-2; 2-Acetoxybenzoic acid; 2-(Acetyloxy)benzoic acid; Acetylsalicylate; o-Acetoxybenzoic acid; Acylpyrin; O-Acetylsalicylic acid; Polopiryna; Easprin; Ecotrin; Acenterine; Acetophen; Acetosal; Colfarit; Salicylic acid acetate; o-Carboxyphenyl acetate; Enterosarein; Aceticyl; Acetonyl; Acetosalin; Acetylin; Aspergum; Aspirdrops; Benaspir; Micristin; Pharmacin; Premaspin; Salcetogen; Temperal; Ecolen; Empirin; Endydol; Rhodine; Saletin; Rheumintabletten; Solprin acid; Acidum acetylsalicylicum; Acetisal; Acetylsal; Aspirine; Bialpirina; Bialpirinia; Claradin; Clariprin; Entericin; Enterophen; Enterosarine; Globentyl; Measurin; Neuronika; Salacetin; Solpyron; Acesal; Acisal; Asagran; Asteric; Cemirit; Decaten; Duramax; Extren; Globoid; Helicon; Idragin; Levius; Pirseal; Rhonal; Solfrin; Adiro; Aspec; Aspro; Novid; Yasta; Acetosalic acid; Triple-sal; Spira-Dine; ZORprin; Bi-prin; Acido acetilsalicilico; Acide acetylsalicylique; Acetilum acidulatum; Acimetten; Delgesic; Entrophen; Persistin; 2-acetyloxybenzoic acid; 2-Carboxyphenyl acetate; Acetilsalicilico; Dolean pH 8; A.S.A. empirin; XAXA; Contrheuma retard; Acetylsalicylsaure; Benzoic acid, 2-(acetyloxy)-; Endosprin; Kapsazal; Bayer; ASA; 8-hour Bayer; Solprin; Triaminicin; Acetysal; Asatard; Istopirin; Magnecyl; Medisyl; Polopirin; Tasprin; Ronal; Bayer Buffered; Aspro Clear; Bayer Plus; Nu-seals aspirin; Rheumin tabletten; Salicylic acid, acetate; Acido O-acetil-benzoico; aspirin (acetylsalicylic acid); Kyselina acetylsalicylova; 2-Acetoxybenzenecarboxylic acid; St. Joseph Aspirin for Adults; A.S.A.; St. Joseph; Aspirina 03; Kyselina 2-acetoxybenzoova; Acetylsalycilic acid; acetyl salicylic acid; SP 189; Bayer Aspirin 8 Hour; Acetard; Asprin; AC 5230; Bayer Children's Aspirin; Acetylsalicylsaeure; Acetylsalicylsaure [German]; Azetylsalizylsaeure; S-211; UNII-R16CO5Y76E; acide 2-(acetyloxy)benzoique; Benzoicacid, 2-(acetyloxy)-; Solupsan; Empirin with Codeine; CCRIS 3243; HSDB 652; ECM; Acide acetylsalicylique [French]; Acido acetilsalicilico [Italian]; CHEBI:15365; 2-(acetyloxy)benzoate; Kyselina acetylsalicylova [Czech]; Acido O-acetil-benzoico [Italian]; Kyselina 2-acetoxybenzoova [Czech]; Bayer Extra Strength Aspirin for Migraine Pain; EINECS 200-064-1; NSC 27223; o-(Acetyloxy)benzoic acid; Acetylsalicylic acid, 99%; Bayer Enteric 325 mg Regular Strength; BRN 0779271; Bayer Enteric 81 mg Adult Low Strength; Bayer Enteric 500 mg Arthritis Strength; AI3-02956; R16CO5Y76E; Aspirin form II; BSYNRYMUTXBXSQ-UHFFFAOYSA-N; component of Midol; NSC27223; component of Synirin; MFCD00002430; component of Zactirin; component of Coricidin; component of Persistin; component of Robaxisal; o-Acetoxybenzoate; NCGC00015067-04; o-acetyl-salicylic acid; DSSTox_CID_108; component of Ascodeen-30; WLN: QVR BOV1; DSSTox_RID_75372; DSSTox_GSID_20108; component of Darvon with A.S.A; Aloxiprimum; Asaphen; Aspalon; Durlaza; AspirinTest2; Nu-seals; component of St. Joseph Cold Tablets; Aspir-Mox; Durlaza ER; AcetylsalicylicAcid; CAS-50-78-2; Acetoxybenzoic acid; Acetysalicylic acid; AIN; SMR000059138; Ascoden-30; Acetylsalicyclic acid; Aspirin [BAN:JAN]; SR-01000075668; Aspirin [USP:BAN:JAN]; Bay E4465; Aspropharm; Cardioaspirin; Cardioaspirina; Acetyonyl; Asacard; Ascolong; Colsprin; Miniasal; Salospir; Acesan; Toldex; Azetylsalizylsaure; 1oxr; 2-Acetoxybenzoate; 99512-66-0; Aspirin,(S); Aspalon (JAN); Easprin (TN); acetyl-salicylic acid; Aspirin USP-26; acetyl salicyclic acid; o-(Acetyloxy)benzoate; Percodan (Salt/Mix); Ascriptin (Salt/Mix); Micrainin (Salt/Mix); 2-acetoxy benzoic acid; PubChem20190; Spectrum_001245; 2-Acetylsalicyclic acid; ACMC-209kpz; Salicylic acid, acetyl-; CHEMBL25; Spectrum2_001899; Spectrum3_001295; Spectrum4_000099; Spectrum5_000740; Aspirin (JP17/USP); Lopac-A-5376; Salycylacetylsalicylic acid; Epitope ID:114151; Percodan Demi (Salt/Mix); Soma Compound (Salt/Mix); ZINC53; aspirin-acetylsalicylic-acid; EC 200-064-1; Aspirin USP (3080); cid_2244; Pravigard PAC (Salt/Mix); SCHEMBL1353; 2-(Acetyloxy)-benzoic acid; A.S.A; Aspirin USP (2080B); Bay-e-4465; Lopac0_000038; KBioGR_000398; KBioGR_002271; KBioSS_001725; KBioSS_002272; 4-10-00-00138 (Beilstein Handbook Reference); KSC269M6D; MLS001055329; MLS001066332; MLS001336045; MLS001336046; BIDD:GT0118; DivK1c_000555; SPECTRUM1500130; SPBio_001838; Acetylsalicylic acid, >=99%; GTPL4139; (non-d)Acetylsalicylic Acid-d3; O-Acetylsalicylic acid; Aspirin; DTXSID5020108; Acetylsalicylic acid-carboxy-14c; BDBM22360; CTK1G9661; HMS501L17; KBio1_000555; KBio2_001725; KBio2_002271; KBio2_004293; KBio2_004839; KBio2_006861; KBio2_007407; KBio3_002149; KBio3_002751; KS-00000ULP; Empirin with Codeine (Salt/Mix); Acetylsalicylic acid, >=99.0%; cMAP_000006; component of Zactirin (Salt/Mix); NINDS_000555; HMS1920E13; HMS2090G03; HMS2091K13; HMS2233L18; HMS3260G17; HMS3372N15; HMS3656N14; HMS3715P19; Pharmakon1600-01500130; BCP21790; STR01551; Tox21_110076; Tox21_202117; Tox21_300146; Tox21_500038; ANW-31125; BBL005469; CCG-39490; LS-143; NSC-27223; NSC406186; NSC755899; s3017; SBB015069; STL137674; AKOS000118884; component of Ascodeen-30 (Salt/Mix); Tox21_110076_1; CS-2001; DB00945; LP00038; MCULE-3199019536; NSC-406186; NSC-755899; PL-2200; RTX-012224; BAY-1019036; IDI1_000555; Acetylsalicylic acid, analytical standard; NCGC00015067-01; NCGC00015067-02; NCGC00015067-03; NCGC00015067-05; NCGC00015067-06; NCGC00015067-07; NCGC00015067-08; NCGC00015067-09; NCGC00015067-10; NCGC00015067-11; NCGC00015067-12; NCGC00015067-13; NCGC00015067-14; NCGC00090977-01; NCGC00090977-02; NCGC00090977-03; NCGC00090977-04; NCGC00090977-05; NCGC00090977-06; NCGC00090977-07; NCGC00254034-01; NCGC00259666-01; NCGC00260723-01; Aspirin, meets USP testing specifications; H740; HY-14654; NCI60_002222; SC-18564; SC-61857; ST075414; SBI-0050027.P004; AB1003266; DS-017139; UNM-0000306102; component of Darvon with A.S.A (Salt/Mix); EU-0100038; FT-0655181; SW199665-2; 1777-EP2269989A1; 1777-EP2269990A1; 1777-EP2272825A2; 1777-EP2275420A1; 1777-EP2277865A1; 1777-EP2280008A2; 1777-EP2281563A1; 1777-EP2281815A1; 1777-EP2281818A1; 1777-EP2292227A2; 1777-EP2295055A2; 1777-EP2298764A1; 1777-EP2298765A1; 1777-EP2298768A1; 1777-EP2298776A1; 1777-EP2305219A1; 1777-EP2305260A1; 1777-EP2305640A2; 1777-EP2305652A2; 1777-EP2308510A1; 1777-EP2311453A1; 1777-EP2314590A1; 1777-EP2314593A1; 1777-EP2316459A1; 1777-EP2371811A2; 6474-EP1441224A2; 6474-EP2272832A1; 6474-EP2275420A1; 6474-EP2277861A1; 6474-EP2277875A2; 6474-EP2298757A2; 6474-EP2298764A1; 6474-EP2298765A1; 6474-EP2314585A1; A 5376; Acetylsalicylic Acid 1.0 mg/ml in Acetonitrile; C01405; D00109; Q18216; 24189-EP2295409A1; 24189-EP2314590A1; AB00051918-08; AB00051918_09; AB00051918_10; 170197-EP2275413A1; 170197-EP2287156A1; 186947-EP2270113A1; 186947-EP2272935A1; Arthritis Pain Formula Maximum Strength (Salt/Mix); METHANONE,(2-CHLORO-3-PYRIDINYL)CYCLOBUTYL-; SR-01000075668-1; SR-01000075668-4; SR-01000075668-6; Acetylsalicylic acid, Vetec(TM) reagent grade, >=99%; Aspirin, British Pharmacopoeia (BP) Reference Standard; F2191-0068; Z234893989; 2-Acetoxybenzoic acid; O-Acetylsalicylic acid; ASA; Aspirin; Aspirin, United States Pharmacopeia (USP) Reference Standard; D41527A7-A9EB-472D-A7FC-312821130549; Acetylsalicylic acid, European Pharmacopoeia (EP) Reference Standard; Acetylsalicylic acid, BioReagent, plant cell culture tested, >=99.0%; Acetylsalicylic acid for peak identification, European Pharmacopoeia (EP) Reference Standard; InChI=1/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12; 11126-35-5; 156865-15-5; Aspirin (Acetyl Salicylic Acid), Pharmaceutical Secondary Standard; Certified Reference Material",
"trade_name": "Aspirin",
"abbrev_name": "",
"description": "nonsteroidal anti-inflammatory drug (NSAID); non-selective cyclooxygenase (COX) inhibitor; anti-inflammatory and antipyretic",
"molecular_formula": "C9H8O4",
"molecular_weight": "180.16",
"state": "solid",
"clearance": "The clearance rate of acetylsalicylic acid is extremely variable, depending on several factors [A177217]. Dosage adjustments may be required in patients with renal impairment [FDA label]. The extended-release tablet should not be administered to patients with eGFR of less than 10 mL/min [F4405].",
"volume_of_distribution": "This drug is distributed to body tissues shortly after administration. It is known to cross the placenta. The plasma contains high levels of salicylate, as well as tissues such as spinal, peritoneal and synovial fluids, saliva and milk. The kidney, liver, heart, and lungs are also found to be rich in salicylate concentration after dosing. Low concentrations of salicylate are usually low, and minimal concentrations are found in feces, bile, and sweat [FDA label].",
"route_of_elimination": "Excretion of salicylates occurs mainly through the kidney, by the processes of glomerular filtration and tubular excretion, in the form of free salicylic acid, salicyluric acid, and, additionally, phenolic and acyl glucuronides [FDA label]. \n\nSalicylate can be found in the urine soon after administration, however, the entire dose takes about 48 hours to be completely eliminated. The rate of salicylate is often variable, ranging from 10% to 85% in the urine, and heavily depends on urinary pH. Acidic urine generally aids in reabsorption of salicylate by the renal tubules, while alkaline urine increases excretion [FDA label].\n\nAfter the administration of a typical 325mg dose, the elimination of ASA is found to follow first order kinetics in a linear fashion. At high concentrations, the elimination half-life increases [FDA label].",
"protein_binding": "50% to 90% of a normal therapeutic concentration salicylate (a main metabolite of acetylsalicylic acid [FDA label]) binds plasma proteins, particularly albumin, while acetylsalicylic acid itself binds negligibly [FDA label]. Acetylsalicylic acid has the ability to bind to and acetylate many proteins, hormones, DNA, platelets, and hemoglobin [FDA label].",
"half_life": "The half-life of ASA in the circulation ranges from 13 - 19 minutes. Blood concentrations drop rapidly after complete absorption. The half-life of the salicylate ranges between 3.5 and 4.5 hours [FDA label].",
"absorption": "\nAbsorption is generally rapid and complete following oral administration but absorption may be variable depending on the route, dosage form, and other factors including but not limited to the rate of tablet dissolution, gastric contents, gastric emptying time, and gastric pH [FDA label].\n\n**Detailed absorption information**\n\nWhen ingested orally, acetylsalicylic acid is rapidly absorbed in both the stomach and proximal small intestine. The non-ionized acetylsalicylic acid passes through the stomach lining by passive diffusion. Ideal absorption of salicylate in the stomach occurs in the pH range of 2.15 - 4.10. Intestinal absorption of acetylsalicylic acid occurs at a much faster rate. At least half of the ingested dose is hydrolyzed to salicylic acid in the first-hour post-ingestion by esterases found in the gastrointestinal tract. Peak plasma salicylate concentrations occur between 1-2 hours post-administration [FDA label].",
"cid": "2244",
"classification": "M; A; B; C; N",
"indications": "Acute coronary syndrome; Acute myocardial infarction; Angina pectoris; Angina unstable; Body temperature increased; Bursitis; Cardiac disorder; Cerebral infarction; Cerebrovascular accident; Dysmenorrhoea; Embolism venous; Fracture; Headache; Inflammation; Influenza; Injury; Ligament sprain; Migraine; Multiple fractures; Musculoskeletal disorder; Myocardial infarction; Myositis; Nasopharyngitis; Neck pain; Neuralgia; Osteoarthritis; Pain; Phonophobia; Photophobia; Rheumatic fever; Rheumatoid arthritis; Rhinitis; Sensitisation; Spondylitis; Spondyloarthropathy; Synovitis; Toothache; Transient ischaemic attack",
"side_effects": "",
"atc_codes": "A01AD05; C10BX01; N02BA01; C10BX05; M01BA03; N02AJ07; C10BX02; C10BX06; C10BX04; B01AC56; N02AJ18; B01AC06; N02BA71; N02BA51; N02AJ02; C07FX02; C10BX12; C07FX03; C10BX08; C07FX04",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T002",
"T005",
"T387",
"T408"
],
"function": [
"F01",
"F010503",
"F0108",
"F0201",
"F02010102",
"F02010103",
"F02010202",
"F020103",
"F02040101",
"F0206",
"F0221",
"F0303",
"F05",
"F0504",
"F070105",
"F070106"
],
"references": [
"RC00065",
"RC00066",
"RC00067",
"RC00068",
"RC00544",
"RC00545",
"RC00924",
"RC00925",
"RC03823",
"RC04021",
"RC04269",
"RC04145",
"RC04393",
"RC04517",
"RC04772",
"RC04785",
"RC04798",
"RC04811",
"RC04824",
"RC04837",
"RC04850",
"RC04863"
]
},
{
"compound_ID": "D0011",
"name": "Atenolol",
"synonyms": "atenolol; 29122-68-7; Tenormin; Blokium; Normiten; Tenormine; Prenormine; Tenoblock; Atehexal; Betablok; Cuxanorm; Myocord; Selobloc; Duraatenolol; Antipressan; Atcardil; Atenblock; Betacard; Corotenol; Evitocor; Farnormin; Internolol; Normalol; Premorine; Prenolol; Tenoprin; Tensimin; Vascoten; Vericordin; Alinor; Anselol; Atecard; Atendol; Atenet; Atenil; Atereal; Aterol; Hipres; Hypoten; Ibinolo; Lotenal; Oraday; Serten; Stermin; Tenidon; Tenolol; Tredol; Uniloc; Wesipin; Altol; Ateni; Noten; Xaten; Seles beta; Apo-Atenolol; Felo-Bits; Lo-ten; Atenolin; Atenomel; Blocotenol; Cardaxen; Cardiopress; Jenatenol; Juvental; Panapres; Plenacor; Servitenol; Tenobloc; Aircrit; Betasyn; Ormidol; Prinorm; Unibloc; Loten; (RS)-Atenolol; Atenol acis; Atenol Cophar; Atenol Fecofar; Atenol Heumann; Atenol Nordic; Atenol Quesada; Atenol Gador; Atenol Stada; Atenol-Mepha; Atenol-Wolff; Atenol Atid; Atenol ct; Atenol Tika; Atenol Trom; Atenol Genericon; Betatop Ge; Atenol von ct; Atenol-ratiopharm; Atenol AL; Atenol PB; Atenol GNR; Atenol MSD; Atenol NM Pharma; duratenol; Scheinpharm Atenol; Atenol 1A pharma; Atenololum; Tenormine [French]; 2-(4-(2-hydroxy-3-(isopropylamino)propoxy)phenyl)acetamide; (r,s)-atenolol; Atenololum [INN-Latin]; Tenormin (TN); ICI 66082; 1-p-Carbamoylmethylphenoxy-3-isopropylamino-2-propanol; 2-[4-(2-Hydroxy-3-isopropylaminopropoxy)phenyl]acetamide; 2-(p-(2-Hydroxy-3-(isopropylamino)propoxy)phenyl)acetamide; 4-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)benzeneacetamide; ICI-66082; CCRIS 4196; 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide; HSDB 6526; CHEMBL24; EINECS 249-451-7; EINECS 262-544-7; ICI 66,082; BRN 2739235; 2-(4-(2-Hydroxy-3-isopropylaminopropoxy)phenyl)acetamid; MLS000069622; CHEBI:2904; Atenolol Bp; METKIMKYRPQLGS-UHFFFAOYSA-N; Benzeneacetamide, 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-; Benzeneacetamide, 4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-; GEO-03413; Atenolol, 98%; 60966-51-0; SMR000036768; Atenol; 2-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}acetamide; Acetamide, 2-(p-(2-hydroxy-3-(isopropylamino)propoxy)phenyl)-; 2-(4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)acetamide; Teno-basan; Q-200656; (+-)-Atenolol; 2-{4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl}acetamide; Neatenol; Tensotin; Atcard; dl-Atenolol; (+/-)-4-[2-Hydroxy-3-[(1-methylethyl)amino]propoxy]benzeneacetamide; (+/-)-Atenolol; Atenolol [USAN:INN:BAN:JAN]; SR-01000000159; 2-(4-[2-Hydroxy-3-(isopropylamino)propoxy]phenyl)acetamide; Artrenolol; phenyl)acetamide; 2-(4-{2-hydroxy-3-[(methylethyl)amino]propoxy}phenyl)acetamide; (+/-)-4-(2-Hydroxy-3-[(1-methylethyl)amino]propoxy)benzeneacetamide; Atenolol [USAN:BAN:INN:JAN]; (y)-Atenolol; Atenolol,(S); (?)-Atenolol; MFCD00057645; Atenolol [USAN:USP:INN:BAN:JAN]; (A+/-)-Atenolol; (+-)-4-(2-Hydroxy-3-isopropylaminopropoxy)phenylacetamide; Tenoretic (Salt/Mix); Atenolol (JAN/USP); Spectrum_001364; Opera_ID_1283; Spectrum2_001411; Spectrum3_001448; Spectrum4_000435; Spectrum5_001509; DSSTox_CID_2628; A 7655; SCHEMBL4362; DSSTox_RID_76663; DSSTox_GSID_22628; Lopac0_000121; Oprea1_448775; BSPBio_002915; GTPL548; KBioGR_000790; KBioSS_001844; KSC492C6H; MLS001066372; MLS001074163; MLS001304038; ARONIS23884; DivK1c_000057; SPECTRUM1501127; Atenolol (JP17/USP/INN); SPBio_001482; (+)-4-[2-Hydroxy-3-[(1-methylethyl)amino]propoxy]benzeneacetamide; DTXSID2022628; BDBM25753; CTK3J2163; HMS500C19; KBio1_000057; KBio2_001844; KBio2_004412; KBio2_006980; KBio3_002415; KS-00000XIG; METKIMKYRPQLGS-UHFFFAOYSA-; 4-[2'-Hydroxy-3'-(isopropylamino)propoxy]phenylacetamide; BBC/163; NINDS_000057; Acetamide,2-(p-(2-hydroxy-3-(isopropylamino)propoxy)phenyl); HMS1569L13; HMS1921H09; HMS2090I19; HMS2092D19; HMS2233E06; HMS3259K08; HMS3260I04; HMS3266K13; HMS3369B14; HMS3369D20; HMS3369P20; HMS3411G21; HMS3675G21; Pharmakon1600-01501127; ( inverted question mark)-Atenolol; (1)-2-(4-(2-Hydroxy-3-(isopropylamino)propoxy)phenyl)acetamide; BB_SC-01519; BCP12899; KS-000046IQ; ZX-AS004380; Atenolol 1.0 mg/ml in Acetonitrile; Atenolol, >=98% (TLC), powder; Tox21_302426; Tox21_500121; 2-[4-({2-hydroxy-3-[(1-methylethyl)amino]propyl}oxy)phenyl]acetamide; ANW-45215; Atenolol 100 microg/mL in Methanol; BBL009276; BG0049; CA0145; CCG-39010; NSC757832; SBB056998; STK528649; AKOS005111050; AC-8245; API0001553; Atenolol, analytical reference material; CS-2927; DB00335; KS-5341; LP00121; LS-9707; MCULE-9148694071; NC00548; NSC-757832; RTR-012731; BENZENEACETAMIDE, 4-(2-HYDROXY-3-((1-METHYLETHYL)AMINO)PROPOXY)-, (+-)-; IDI1_000057; MRF-0000571; NCGC00015007-06; NCGC00015007-07; NCGC00015007-08; NCGC00015007-09; NCGC00015007-10; NCGC00015007-11; NCGC00015007-13; NCGC00024566-03; NCGC00024566-04; NCGC00024566-05; NCGC00024566-06; NCGC00024566-07; NCGC00255122-01; NCGC00260806-01; CPD000036768; HY-17498; LS-28557; SAM002564193; SC-19545; ST024754; SBI-0050109.P003; AB0011597; AX8005715; CAS-29122-68-7; DB-072177; DB-079552; ST2403914; TR-012731; EU-0100121; FT-0622499; FT-0693045; 2-(4-(2-hydroxy-3-(isopropylamino)propoxy); BIM-0050109.0001; D00235; EN300-119532; J10009; Z-0828; AB00052208-13; AB00052208-15; AB00052208_16; 122A687; L000116; Q411325; SR-01000000159-2; SR-01000000159-4; SR-01000000159-5; SR-01000000159-8; BRD-A20239487-001-02-5; BRD-A20239487-001-15-7; Atenolol, European Pharmacopoeia (EP) Reference Standard; Z1541638518; 2-{4-[2-Hydroxy-3-(isopropylamino)propoxy]-phenyl}acetamide; Atenolol, United States Pharmacopeia (USP) Reference Standard; (RS)-4-[2-Hydroxy-3-[(1-methylethyl)amino]propoxy]benzeneacetamide; benzeneacetamide, 4-[2'-hydroxy-3;-[(1-methylethyl)amino]propoxy]-; 2-(4-{[(2S)-2-hydroxy-3-(propan-2-ylamino)propyl]oxy}phenyl)acetamide; Atenolol, Pharmaceutical Secondary Standard; Certified Reference Material; 2-[4-({(2R)-2-hydroxy-3-[(1-methylethyl)amino]propyl}oxy)phenyl]acetamide; Atenolol solution, 1.0 mg/mL in acetonitrile, ampule of 1 mL, certified reference material; InChI=1/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)",
"trade_name": "",
"abbrev_name": "Tenormin",
"description": "cardioselective beta-blocker",
"molecular_formula": "C14H22N2O3",
"molecular_weight": "266.34",
"state": "solid",
"clearance": "Total clearance is estimated at 97.3-176.3 mL/min with a renal clearance of 95-168 mL/min.[A178180]",
"volume_of_distribution": "Total Vd of 63.8-112.5 L. Atenolol distributes into a central volume of 12.8-17.5 L along with two peripheral compartments with a combined volume of 51-95 L.[A178180] Distribution takes about 3 hrs for the central compartment, 4 hrs for the shallower peripheral compartment, and 5-6 hrs for the deeper peripheral compartment.",
"route_of_elimination": "85% is eliminated by the kidneys following IV administration with 10% appearing in the feces.[label,A178180]",
"protein_binding": "6-16% bound in plasma.[label] Atenolol binds to two sites on human serum albumin.[A178210]",
"half_life": "6-7 hrs.[label]",
"absorption": "Approximately 50% of an oral dose is absorbed from the gastrointestinal tract, with the remainder being excreted unchanged in the feces.[label] Administering atenolol with food can decrease the AUC by about 20%.[A178180] While atenolol can cross the blood-brain barrier, it does so slowly and to a small extent.",
"cid": "2249",
"classification": "C",
"indications": "Acute coronary syndrome; Acute myocardial infarction; Angina pectoris; Arrhythmia; Arteriosclerosis coronary artery; Asthma; Bradycardia; Cardiac failure; Chest pain; Diabetes mellitus; Diabetic nephropathy; Foetor hepaticus; Hepatocellular injury; Hyperlipidaemia; Hypotension; Liver disorder; Myocardial infarction; Myocardial ischaemia; Renal failure; Renal impairment; Systolic hypertension; Tachycardia; Ventricular arrhythmia",
"side_effects": "Arrhythmia; Asthenia; Atrial fibrillation; Atrial flutter; Atrioventricular block; Bradycardia; Bronchospasm; Cardiac arrest; Cardiac failure; Cardiac septal defect; Cardiogenic shock; Depression; Diarrhoea; Dizziness; Dyspnoea; Fatigue; Hypotension; Lethargy; Mitral valve incompetence; Myocardial infarction; Nausea; Orthostatic hypotension; Pain in extremity; Peripheral coldness; Regurgitation; Renal failure; Somnolence; Supraventricular tachycardia; Ventricular septal defect; Ventricular tachycardia; Vertigo",
"atc_codes": "C07AB03; C07DB01; C07CB03; C07BB03; C07CB53; C07FB03",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F020403"
],
"references": [
"RC04869"
]
},
{
"compound_ID": "D0012",
"name": "Atractyloside",
"synonyms": "atractyloside; UNII-H6WC6L09RM; H6WC6L09RM; atractyloside, potassium salt; Potassium atractylate; Attrattiloside [Italian]; 17754-44-8; Atractylin (C30 glucoside); Atractylate de potassium [French]; Attrattiloside; EINECS 241-744-8; Atractylate de potassium; 15-Hydroxy-2-((2-O-(3-methyl-1-oxobutyl)-3,4-di-O-sulfo-beta-D-glucopyranosyl)oxy)-19-norkaur-16-en-18-oic acid dipotassium salt, (2beta,4alpha,15alpha)-; 19-Norkaur-16-en-18-oic acid, 15-hydroxy-2-((2-O-(3-methyl-1-oxobutyl)-3,4-di-O-sulfo-beta-D-glucopyranosyl)oxy)-, (2beta,4alpha,15alpha)-; C09064; CHEBI:2913; 19-Norkaur-16-en-18-oic acid, 15-hydroxy-2-((2-O-(3-methyl-1-oxobutyl)-3,4-di-O-sulfo-beta-D-glucopyranosyl)oxy)-, dipotassium salt, (2beta,4alpha,15alpha)-; Dipotassium hydrogen 15alpha-hydroxy-2beta-((2-O-isovaleryl-3,4alpha-di-O-sulphonato-beta-D-glucopyranosyl)oxy)-19-norkaur-16-en-18-oate; Q27105880",
"trade_name": "",
"abbrev_name": "",
"description": "natural toxic glycoside; ADP/ATP translocase inhibitor",
"molecular_formula": "C30H44K2O16S2",
"molecular_weight": "803",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "442004",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0013",
"name": "Bezafibrate",
"synonyms": "bezafibrate; 41859-67-0; Bezalip; Cedur; Bezafibrat; Befizal; Bezafibrato; Bezafibratum; Sklerofibrat; Azufibrat; Bezatol; Bezafibratum [INN-Latin]; Bezafibrato [INN-Spanish]; Bezafibrato [Spanish]; Bezatol SR (TN); BM 15075; LO 44; BM-15.075; BF-759; UNII-Y9449Q51XH; Difaterol; CCRIS 9085; BM 15.075; 2-[4-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]-2-methylpropanoic acid; EINECS 255-567-9; 2-(p-(2-(p-Chlorobenzamido)ethyl)phenoxy)-2-methylpropionic acid; BRN 4267656; C19H20ClNO4; MLS000028533; CHEMBL264374; durabezur; Reducterol; Bezabeta; Bezacur; Bezamerck; Eulitop; Solibay; CHEBI:47612; Lipox; IIBYAHWJQTYFKB-UHFFFAOYSA-N; 2-[4-[2-(4-Chlorobenzamido)ethyl]phenoxy]-2-methylpropanoic acid; Bezafibrat PB; Y9449Q51XH; Beza-Lande; Beza-Puren; Regadrin B; Propanoic acid, 2-(4-(2-((4-chlorobenzoyl)amino)ethyl)phenoxy)-2-methyl-; NCGC00016850-01; SMR000058298; Bezalip Retard; CAS-41859-67-0; DSSTox_CID_9869; Propanoic acid, 2-[4-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]-2-methyl-; DSSTox_RID_78826; DSSTox_GSID_29869; W-106291; 2-(4-(2-(4-Chlorobenzamido)ethyl)phenoxy)-2-methylpropanoic acid; 2-{4-[2-(4-chlorobenzamido)ethyl]phenoxy}-2-methylpropanoic acid; 2-(4-{2-[(4-chlorobenzoyl)amino]ethyl}phenoxy)-2-methylpropanoic acid; 2-(4-{2-[(4-chlorophenyl)formamido]ethyl}phenoxy)-2-methylpropanoic acid; 2-[P-[2-P-CHLOROBENZAMIDO)ETHYL]PHENOXY]-2-METHYLPROPIONIC ACID; Propionic acid, 2-(4-(2-((4-chlorobenzoyl)amino)ethyl)phenoxy)-2-methyl-; SR-01000000106; Bezafibrate [USAN:BAN:INN:JAN]; Bezalip SR; Bezafibrate,(S); Bezafibrate [USAN:INN:BAN:JAN]; PEM; Prestwick_724; BENAFIBRATE; PubChem4066; Spectrum_001443; BM-15075; Opera_ID_376; Prestwick0_000378; Prestwick1_000378; Prestwick2_000378; Prestwick3_000378; Spectrum2_000922; Spectrum3_001500; Spectrum4_000325; Spectrum5_001079; Spectrum5_001967; SCHEMBL16299; BSPBio_000535; BSPBio_001314; BSPBio_003119; KBioGR_000034; KBioGR_000669; KBioSS_000034; KBioSS_001923; MLS001148205; Bezafibrate, >=98%, solid; DivK1c_000092; SPECTRUM1502046; SPBio_000824; SPBio_002456; BPBio1_000589; GTPL2668; DTXSID3029869; BDBM28701; Bezafibrate (JP17/USAN/INN); CTK8B3343; HMS500E14; KBio1_000092; KBio2_000034; KBio2_001923; KBio2_002602; KBio2_004491; KBio2_005170; KBio2_007059; KBio3_000067; KBio3_000068; KBio3_002619; 2-[4-[2-(4-Chlorobenzamido)ethyl]phenoxy]isobutyric Acid; NINDS_000092; Bio2_000034; Bio2_000514; HMS1361B16; HMS1569K17; HMS1791B16; HMS1921H16; HMS1989B16; HMS2089F04; HMS2092B12; HMS2096K17; HMS2233E22; HMS3261D21; HMS3369B13; HMS3402B16; HMS3650K22; HMS3652M22; HMS3713K17; Pharmakon1600-01502046; BCP03700; HY-B0637; ZINC3956919; Tox21_110645; Tox21_301845; Tox21_500500; ANW-42342; BG0107; CCG-39683; MFCD00078970; NSC758174; s4159; 2-[4-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]-2-methyl-propanoic acid; AKOS005107743; Tox21_110645_1; AB03023; AC-6817; API0001705; BCP9000398; CS-2874; DB01393; HS-0040; LP00500; MCULE-9775992840; NSC-758174; SB17361; VA10400; IDI1_000092; IDI1_033784; NCGC00016850-02; NCGC00016850-03; NCGC00016850-04; NCGC00016850-05; NCGC00016850-06; NCGC00016850-07; NCGC00016850-08; NCGC00016850-09; NCGC00016850-10; NCGC00016850-11; NCGC00016850-12; NCGC00016850-15; NCGC00023317-03; NCGC00023317-04; NCGC00023317-05; NCGC00023317-06; NCGC00023317-07; NCGC00023317-08; NCGC00255376-01; NCGC00261185-01; 4CA-0271; Bezafibrate, analytical reference material; SC-04393; BCP0726000153; SBI-0051715.P002; AB1004588; AX8116634; LS-124535; TR-016482; 2-(4-(2-(4-chlorobenzamido)ethyl)phenoxy); AB00052265; B3346; FT-0622617; ST51014927; SW196871-4; D01366; K-8763; AB00052265-15; AB00052265_16; AB00052265_17; 859B670; Q577387; SR-01000000106-3; SR-01000000106-4; SR-01000000106-5; BRD-K46018455-001-06-0; BRD-K46018455-001-17-7; SR-01000000106-10; Bezafibrate, European Pharmacopoeia (EP) Reference Standard; 2-(4-(2-((4-CHLOROBENZOYL)AMINO)ETHYL)PHENOXY)-2-M; 2-(4-(2-parachlorobenzamidoethyl)phenoxy)-2-methylpropionic acid; 2-[4-[2-(4-chlorobezamide)ethyl]phenoxy]-2-methylpropanoic acid; 2-(4-{2-[(4-chlorophenyl)carbonylamino]ethyl}phenoxy)-2-methylpropanoic acid; 2-[4-(2-{[(4-chlorophenyl)carbonyl]amino}ethyl)phenoxy]-2-methylpropanoic acid; BF; 2-[4-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]-2-methyl propanoic acid",
"trade_name": "Bezalip",
"abbrev_name": "",
"description": "Antilipemic agent",
"molecular_formula": "C19H20ClNO4",
"molecular_weight": "361.8",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "94-96% of bezafibrate is bound to protein in human serum.",
"half_life": "1-2 hours",
"absorption": "Bezafibrate is almost completely absorbed after oral administration. The relative bioavailability of bezafibrate retard compared to the standard form is about 70%.",
"cid": "39042",
"classification": "C",
"indications": "Arteriosclerosis; Arteriosclerosis coronary artery; Combined hyperlipidaemia; Coronary artery disease; Dyslipidaemia; Hypercholesterolaemia; Hyperlipidaemia; Hypertriglyceridaemia; Infarction; Pancreatitis; Renal failure; Type IV hyperlipidaemia",
"side_effects": "Anaemia (0.011); Pruritus (0.034); Abdominal pain; Alanine aminotransferase increased; Aspartate aminotransferase increased; Blood creatine phosphokinase increased; Bronchitis; Dermatitis; Diarrhoea; Dyspepsia; Gastritis; Gastrointestinal pain; Headache; Influenza; Pharyngitis; Rash; Tenosynovitis",
"atc_codes": "C10AB02",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T002",
"T004",
"T005",
"T019"
],
"function": [
"F020103"
],
"references": [
"RC00122",
"RC00123",
"RC00124",
"RC00125",
"RC00126"
]
},
{
"compound_ID": "D0014",
"name": "Bleomycin",
"synonyms": "bleomycin; Bleocin; Bleomicin; Bleomicina; Bleomycins; Bleomycine; Bleomycinum; Bleomycine [INN-French]; Bleomycinum [INN-Latin]; Bleomicina [INN-Spanish]; bleomycin a2; 11056-06-7; CCRIS 2754; Bleomycin sulfate; HSDB 3208; NDC 0015-3010; NSC 125066; Bleomycin A(2); Bleomycin B(2); Bleomycin [INN]; Bleomycin [INN:BAN]; BLM; SCHEMBL21090952; C55H85N17O21S3; LMPK14000006; LS-524; DB00290",
"trade_name": "Blenoxane",
"abbrev_name": "",
"description": "glycopeptide antibiotics; antineoplastic; inhibits DNA metabolism",
"molecular_formula": "C55H84N17O21S3+",
"molecular_weight": "1415.6",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "It was reported that patients with moderately severe renal failure excreted less than 20% of the dose in the urine.",
"protein_binding": "0.01",
"half_life": "115 minutes",
"absorption": "Systemic absorption is approximately 45%.",
"cid": "5360373",
"classification": "L",
"indications": "Choriocarcinoma; Dysplasia; Hodgkin's disease; Hodgkin's disease lymphocyte depletion type stage unspecified; Hodgkin's disease lymphocyte predominance type stage unspecified; Lymphoma; Malignant pleural effusion; Neoplasm; Neoplasm malignant; Pleural effusion; Pulmonary toxicity; Renal impairment; Squamous cell carcinoma; Testis cancer",
"side_effects": "Body temperature increased (0.005); Mucosal inflammation (0.003); Pneumonia (0.001); Pulmonary fibrosis (1e-04); Stomatitis (0.003)",
"atc_codes": "L01DC01",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0015",
"name": "Bosentan",
"synonyms": "Bosentan; 147536-97-8; Tracleer; Actelion; Ro 47-0203; bosentanum; Ro-47-0203; Bosentan [USAN:INN:BAN]; C27H29N5O6S; UNII-XUL93R30K2; p-tert-Butyl-N-(6-(2-hydroxyethoxy)-5-(o-methoxyphenoxy)-2-(2-pyrimidinyl)-4-pyrimidinyl)benzenesulfonamide; Ro 47-0203/039; CHEMBL957; XUL93R30K2; 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]benzenesulfonamide; CHEBI:51450; 4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-(2,2'-bipyrimidin)-4-yl)benzenesulfornamide; NCGC00167440-01; DSSTox_CID_26627; DSSTox_RID_81776; DSSTox_GSID_46627; 4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-(2,2'-bipyrimidin)-4-yl) benzenesulfornamide; 4-tert-butyl-N-[6-(2-hydroxyethyloxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-pyrimidin-4-yl]benzenesulfonamide; Benzenesulfonamide, 4-(1,1-dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)(2,2'-bipyrimidin)-4-yl)-; N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-pyrimidin-4-yl]-4-tert-butyl-benzenesulfonamide; Bosentan (INN); 174227-18-0; 4-(tert-butyl)-N-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-[2,2'-bipyrimidin]-4-yl)benzenesulfonamide; 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2,2'-bipyrimidin-4-yl]benzenesulfonamide; 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-(pyrimidin-2-yl)pyrimidin-4-yl]benzene-1-sulfonamide; CAS-147536-97-8; SR-05000001532; 4-tert-butyl-n-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2,2'-bipyrimidin-4-yl)benzenesulfonamide; Benzenesulfonamide, 4-(1,1-dimethylethyl)-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]-; KS-5062; PubChem19119; 1196074-08-4; Ro-47-0203/029; Ro-47-0203/039; SCHEMBL4218; 4-t-butyl-N-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2,2'-bipyrimidin-4-yl)benzenesulfonamide; GTPL3494; DTXSID7046627; CTK4D4929; GJPICJJJRGTNOD-UHFFFAOYSA-N; HMS2090N14; HMS3652F15; HMS3715N05; HMS3750A13; BCP05202; HY-A0013; ZINC1538857; Tox21_112444; ABP001094; AC-148; BDBM50061101; PDSP1_001731; PDSP2_001714; s4220; AKOS015852063; Tox21_112444_1; ACN-048487; AM84442; BCP9000445; CCG-221182; CS-0381; DB00559; MCULE-3074160312; SB17356; VA10428; NCGC00167440-02; EN002863; LS-31532; SC-19679; AB0018010; Ro-470203029; B5118; FT-0658809; SW199648-3; Ro-47-0203-029; D07538; W-5165; AB01275536-01; 144096-EP2287165A2; 144096-EP2287166A2; 144096-EP2292620A2; 212B550; A808658; L001086; Q419769; J-008366; SR-05000001532-1; SR-05000001532-2; SR-05000001532-4; Z1541632805; 4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-(2,2''-bipyrimidin)-4-yl) benzenesulfornamide; 4-(1,1-dimethylethyl)-n-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]benzenesulfonamide; 4-(tert-Butyl)-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]benzenesulfonamide; 4-tert butyl-N-[4-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-(2-pyrimidinyl)pyrimidin-6-yl]benzenesulphonamide; 4-tert-Butyl-N-[6-(2-hydroxy-ethoxy)-5-(2-methoxy-phenoxy)-[2,2']bipyrimidinyl-4-yl]-benzenesulfonamide; 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-[2,2'-bipyrimidine]-4-yl]benzene-1-sulfonamide; 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2,2''-bipyrimidin-4-yl]benzenesulfonamide; 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-(2-pyrimidinyl)-4-pyrimidinyl]benzenesulfonamide; 4-tert-Butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-(pyrimidin-2-yl)pyrimidin-4-yl]benzenesulfonamide; K86",
"trade_name": "",
"abbrev_name": "",
"description": "dual endothelin receptor antagonist",
"molecular_formula": "C27H29N5O6S",
"molecular_weight": "551.6",
"state": "solid",
"clearance": "* 4 L/h [patients with pulmonary arterial hypertension]",
"volume_of_distribution": "* 18 L",
"route_of_elimination": "Bosentan is eliminated by biliary excretion following metabolism in the liver.",
"protein_binding": "Greater than 98% to plasma proteins, mainly albumin.",
"half_life": "Terminal elimination half-life is about 5 hours in healthy adult subjects.",
"absorption": "Absolute bioavailability is approximately 50% and food does not affect absorption.",
"cid": "104865",
"classification": "C",
"indications": "Cardiac failure chronic; Connective tissue disorder; Heart disease congenital; Hepatotoxicity; Hypertension; Immunodeficiency; Lung disorder; Pulmonary arterial hypertension; Pulmonary hypertension; Pulmonary veno-occlusive disease; Scleroderma; Skin ulcer; Systemic sclerosis; Ulcer",
"side_effects": "Anaemia (0.08); Wheezing (0.02); Arthralgia; Back pain; Bladder pain; Bronchitis; Chest pain; Contusion; Cough; Cystitis; Cystitis noninfective; Dizziness; Dyspnoea; Epistaxis; Flushing; Haemoptysis; Headache; Hypotension; Loss of consciousness; Lower respiratory tract infection; Muscle spasms; Musculoskeletal discomfort; Nasal congestion; Nasopharyngitis; Oedema; Orthostatic hypotension; Pain in extremity; Palpitations; Pneumonia; Pruritus; Pulmonary hypertension; Respiratory tract infection; Shock; Sinusitis; Syncope; Tracheobronchitis; Upper respiratory tract infection; Urinary tract infection; Vertigo; Vision blurred",
"atc_codes": "C02KX01",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0016",
"name": "Bupivacaine",
"synonyms": "bupivacaine; 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide; 2180-92-9; DL-Bupivacaine; Marcaine; 38396-39-3; Bupivacaina; Bupivacainum; Anekain; Carbostesin; (+-)-Bupivacaine; Sensorcaine; 1-Butyl-2',6'-pipecoloxylidide; Bupivacainum [INN-Latin]; Bupivacaina [INN-Spanish]; dl-1-Butyl-2',6'-pipecoloxylidide; 2-Piperidinecarboxamide, 1-butyl-N-(2,6-dimethylphenyl)-; Win 11318; Bloqueina; 1-Butyl-N-(2,6-dimethylphenyl)-2-piperidinecarboxamide; (+/-)-Bupivacaine; 2',6'-Pipecoloxylidide, 1-butyl-; AH 250; C18H28N2O; 1-butyl-N-(2,6-dimethylphenyl)-piperidine-2-carboxamide; EINECS 218-553-3; EINECS 253-911-2; CHEBI:77431; LEBVLXFERQHONN-UHFFFAOYSA-N; LAC-43; cBupivacaine; (1)-1-Butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide; AK-90074; Q-100271; Bupivacaine Carbonate; Bupivacaine HCL KIT; Exparel; bupivacaine base; Bupivacaine [INN:BAN]; 2-Piperidinecarboxamide, 1-butyl-N-(2,6-dimethylphenyl)-, (+-)-; Bucaine (TN); DUR-843; 14252-80-3 (HCl); 73360-54-0 (HCl.H2O); Levobupivacaine free base; Bupivacaine Monohydrochloride, Monohydrate; Bupivacaine [USAN:INN:BAN]; HSDB 7790; SKY0402; racemic bupivacaine; (RS)-bupivacaine; SKY 0402; Exparel (TN); Spectrum_001524; Bupivacaine liposome injectable suspension; Bupivacaine,hydrochloride; Prestwick0_000305; Prestwick1_000305; Prestwick2_000305; Prestwick3_000305; Spectrum2_001589; Spectrum3_000974; Spectrum4_001098; Spectrum5_001483; (.+/-.)-1-Butyl-2',6'-pipecoloxylidide; (.+/-.)-Bupivacaine; Bupivacaine (USAN/INN); LAC-43 (Salt/Mix); Epitope ID:122662; Marcaine spinal (Salt/Mix); CHEMBL1098; SCHEMBL25438; BSPBio_000270; BSPBio_002607; KBioGR_001516; KBioSS_002004; DivK1c_000758; SPBio_001558; SPBio_002489; BPBio1_000298; CHEBI:3215; GTPL2397; DTXSID2022703; CTK8B4736; KBio1_000758; KBio2_002004; KBio2_004572; KBio2_007140; KBio3_001827; KS-00000ZRC; dl-1-Butyl-2,6-pipecoloxylidide; NINDS_000758; HMS2090F12; HMS3428P06; Marcaine hydrochloride (Salt/Mix); BCP12242; BCP21825; SKY-0402; ANW-45984; BDBM50350790; MFCD00941462; STL484283; AKOS001637202; AKOS016842516; AC-2096; API0007792; BS-5224; CS-W023182; DB00297; LS-2222; MCULE-2286784276; IDI1_000758; NCGC00178579-01; NCGC00178579-02; R962; SC-26838; ST065773; SBI-0051846.P002; 18010-40-7 (HCl); AX8041457; DB-119016; LS-109841; ST2415271; TC-134729; 4CH-013994; AB00053674; FT-0623286; FT-0699781; C07529; D07552; J10217; M-9606; AB00053674-08; AB00053674-09; AB00053674_10; AB00053674_11; 180B929; L000695; Q422806; BRD-A01636364-003-05-2; BRD-A01636364-003-08-6; N-(2,6-dimethylphenyl)(1-butyl(2-piperidyl))carboxamide; 1-Butyl-N-(2,6-dimethylphenyl)-2-piperidinecarboximidic acid; (plusmn)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide; 2-Piperidinecarboxamide, 1-butyl-N-(2,6-dimethylphenyl)-, (.+/-.)-",
"trade_name": "",
"abbrev_name": "",
"description": "local anesthetic agent",
"molecular_formula": "C18H28N2O",
"molecular_weight": "288.4",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "Only 6% of bupivacaine is excreted unchanged in the urine.",
"protein_binding": "0.95",
"half_life": "2.7 hours in adults and 8.1 hours in neonates",
"absorption": "Systemic absorption of local anesthetics is dose- and concentration-dependendent on the total drug administered. Other factors that affect the rate of systemic absorption include the route of administration, blood flow at the administration site, and the presence or absence of epinephrine in the anesthetic solution.",
"cid": "2474",
"classification": "N",
"indications": "Atrioventricular block; Cardiac arrest; Cardiac output decreased; Chills; Coma; Convulsion; Foetor hepaticus; Hepatocellular injury; Hypotonia; Labour pain; Liver disorder; Procedural pain; Respiratory arrest; Tremor; Vascular resistance systemic; Vasodilation procedure; Ventricular arrhythmia; Wound",
"side_effects": "Lethargy (0.013); Abdominal distension; Abdominal pain; Alanine aminotransferase increased; Anaemia; Anal haemorrhage; Anxiety; Aspartate aminotransferase increased; Back pain; Blood creatinine increased; Body temperature decreased; Body temperature increased; Bradycardia; Breast pain; Chills; Constipation; Cough; Decreased appetite; Delayed delivery; Diarrhoea; Diplopia; Dizziness; Dyschezia; Dyspepsia; Electrocardiogram abnormal; Feeling hot; Flatulence; Foetal distress syndrome; Fungal infection; Gastrointestinal disorder; Gastrointestinal pain; Haematuria; Haemorrhage in pregnancy; Headache; Hypertension; Hypoaesthesia; Hypotension; Hypothermia; Infection; Infestation; Leukocytosis; Loss of consciousness; Malnutrition; Nausea; Nervous system disorder; Pain; Paraesthesia; Post procedural swelling; Procedural pain; Pruritus; Pruritus generalised; Purpura; Rectal discharge; Shock; Skin disorder; Somnolence; Syncope; Tachycardia; Urinary incontinence; Urinary tract infection; Urine abnormality; Urine analysis abnormal; Urine flow decreased; Vascular purpura; Vomiting; Wound secretion",
"atc_codes": "N01BB01; N01BB51",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T002",
"T408"
],
"function": [
"F0101",
"F010401",
"F0105",
"F010503",
"F0108",
"F0201",
"F020103",
"F0303"
],
"references": [
"RC01049",
"RC01050",
"RC01051",
"RC01074",
"RC01091",
"RC03817",
"RC04034",
"RC04158",
"RC04282",
"RC04406",
"RC04530"
]
},
{
"compound_ID": "D0017",
"name": "Butacaine",
"synonyms": "butacaine; 149-16-6; 1-Propanol, 3-(dibutylamino)-, 4-aminobenzoate (ester); Butacaine [INN:BAN]; 3-(Dibutylamino)propyl 4-aminobenzoate; p-Aminobenzoyldibutylaminopropanol; Butacainum [INN-Latin]; Butacaina [INN-Spanish]; UNII-Z84S23CGJJ; 3-Dibutylaminopropyl p-aminobenzoate; Butacaine sulphate; 3-(Dibutylamino)-1-propanol p-aminobenzoate; C18H30N2O2; 3-(p-Aminobenzoxy)-1-di-n-butylaminopropane; EINECS 205-734-7; BRN 2135378; Z84S23CGJJ; MLS000028619; NCGC00016411-01; CAS-149-16-6; SMR000058686; 1-PROPANOL, 3-(DIBUTYLAMINO)-, p-AMINOBENZOATE (ESTER); DSSTox_CID_25300; DSSTox_RID_80789; DSSTox_GSID_45300; Butacainum; Butacaina; SR-01000003139; Prestwick_984; Spectrum_001562; Opera_ID_1473; Prestwick0_000831; Prestwick1_000831; Prestwick2_000831; Prestwick3_000831; Spectrum2_001593; Spectrum3_001943; Spectrum4_000219; Spectrum5_001565; SCHEMBL26156; BSPBio_000781; BSPBio_003543; KBioGR_000857; KBioSS_002042; DivK1c_000864; SPECTRUM1503914; SPBio_001586; SPBio_002702; BPBio1_000861; CHEMBL129529; DTXSID3045300; CHEBI:94820; CTK8F8367; HMS502L06; KBio1_000864; KBio2_002042; KBio2_004610; KBio2_007178; KBio3_002827; HQFWVSGBVLEQGA-UHFFFAOYSA-N; NINDS_000864; HMS1570H03; HMS1922K10; HMS2093K17; HMS2097H03; HMS2230J20; HMS3371O14; HMS3714H03; Pharmakon1600-01503914; HY-B1007; ZINC1596184; Tox21_110428; 2290AH; BDBM50225491; CCG-39371; NSC758632; AKOS024374899; Tox21_110428_1; API0015124; CS-4504; MCULE-4554935124; NSC-758632; IDI1_000864; NCGC00016411-02; NCGC00016411-03; NCGC00016411-04; NCGC00016411-05; NCGC00016411-06; NCGC00016411-07; NCGC00016411-10; NCGC00023714-03; NCGC00023714-04; NCGC00023714-05; 3-(Dibutylamino)propyl 4-aminobenzoate #; (3-di-N-Butylaminopropyl)-p-aminobenzoate; SBI-0051856.P002; LS-122041; AB00052382; ST51014906; SW197068-3; 1-Propanol, 3-(dibutylamino)-, 4-aminobenzoate; 1-Propanol, 3-(dibutylamino)-, p-aminobenzoate; 4-aminobenzoic acid 3-(dibutylamino)propyl ester; AB00052382_15; AB00052382_16; J-008557; J-008559; Q5002339; SR-01000003139-2; SR-01000003139-3; 1-Propanol, 3-(dibutylamino)-, 1-(4-aminobenzoate); BRD-K99622919-001-05-7; BRD-K99622919-001-15-6",
"trade_name": "",
"abbrev_name": "",
"description": "local anesthetic",
"molecular_formula": "C18H30N2O2",
"molecular_weight": "306.4",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "2480",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0018",
"name": "Carticaine",
"synonyms": "Articaine; Carticaine; 23964-58-1; Articaine [INN:BAN]; Articainum [INN-Latin]; Articaina [INN-Spanish]; Hoe-045; methyl 4-methyl-3-[2-(propylamino)propanoylamino]thiophene-2-carboxylate; methyl 4-methyl-3-[(N-propylalanyl)amino]thiophene-2-carboxylate; Methyl (4-methyl-3-(2-(propylamino)propionamido)-2-thiophencarboxylat); Q-200652; Articainum; Articaina; UNII-D3SQ406G9X; methyl 4-methyl-3-[(N-propylalanyl)amino]thiophene-2-carboxylate hydrochloride; 2-Thiophenecarboxylicacid, 4-methyl-3-[[1-oxo-2-(propylamino)propyl]amino]-, methyl ester; 4-Methyl-3-(2-(propylamino)propionamido)-2-thiophenecarboxylic acid, methyl ester; Artemtherin; methyl 4-methyl-3-(2-(propylamino)propanamido)thiophene-2-carboxylate; methyl 4-methyl-3-[2-(propylamino)propanamido]thiophene-2-carboxylate; 4-Methyl-3-[2-(propylamino)propionamido]-2-thiophenecarboxylic acid, methyl ester; D3SQ406G9X; Articaine (INN); Prestwick0_001032; Prestwick1_001032; Prestwick2_001032; Prestwick3_001032; CHEMBL1093; SCHEMBL26715; BSPBio_001243; ARONIS25008; SPBio_003094; BPBio1_001368; HOE-45; DTXSID7048536; CHEBI:91834; CTK4F2655; QTGIAADRBBLJGA-UHFFFAOYSA-N; ALBB-022443; KS-000046XB; ZX-AN038028; BBL023182; BDBM50225496; STL290419; AKOS005287449; API0008646; DB09009; MCULE-1215719824; 4-Methyl-3-[[1-oxo-2-(propylamino)propyl]amino]-2-thiophenecarboxylic acid methyl ester; ACM23964581; NCGC00179248-01; AC-27016; CC-24189; VS-07343; AB0105909; LS-174027; AB00514635; BB 0261164; FT-0602880; T7555; D07468; AB00514635_06; 964A570; 964A581; C-17918; Q421297; BRD-A70514680-003-03-9; methyl 4-methyl-3-[(N-propylalanyl)amino]-2-thiophenecarboxylate; Methyl 4-methyl-3-([2-(propylamino)propanoyl]amino)-2-thiophenecarboxylate #; 2-thiophenecarboxylic acid, 4-methyl-3-[[1-oxo-2-(propylamino)propyl]amino]-, methyl ester, hydrochloride",
"trade_name": "",
"abbrev_name": "",
"description": "amide-type local anesthetic",
"molecular_formula": "C13H20N2O3S",
"molecular_weight": "284.38",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "32170",
"classification": "N",
"indications": "",
"side_effects": "",
"atc_codes": "N01BB08; N01BB58",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0019",
"name": "Celecoxib",
"synonyms": "celecoxib; 169590-42-5; Celebrex; Celebra; Onsenal; Celocoxib; Celecox; SC 58635; SC-58635; 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE; YM177; YM 177; Celecoxibum; 184007-95-2; HSDB 7038; 4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide; UNII-JCX84Q7J1L; SC58635; C17H14F3N3O2S; p-(5-p-Tolyl-3-(trifluoromethyl)pyrazol-1-yl)benzenesulfonamide; 4-(5-(4-Methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide; YM-177; CHEMBL118; JCX84Q7J1L; 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzene-1-sulfonamide; CHEBI:41423; RZEKVGVHFLEQIL-UHFFFAOYSA-N; NCGC00091455-01; Xilebao; DSSTox_CID_2777; 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]-benzenesulfonamide; benzenesulfonamide, 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]-; DSSTox_RID_76725; DSSTox_GSID_22777; 194044-54-7; Celecoxib [USAN]; Celecoxi; Solexa; 4-(5-(p-tolyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide; Benzenesulfonamide, 4-(5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)-; Celebrex (TN); SMR000550473; CAS-169590-42-5; SR-01000837528; Celecoxib (SC-58635); Celecoxib (JAN/USAN/INN); Celecoxib [USAN:INN:BAN]; CCRIS 9330; TPI-336; Onsenal (TN); AI-525; CEP-33222; MFCD00941298; CELEBCOXIB; Spectrum_000432; 1oq5; Spectrum2_001576; Spectrum3_001996; Spectrum4_000182; Spectrum5_001324; SC-58553, SC-58635; Celecoxib/Celebrex, Celebra; cid_2662; SCHEMBL3708; BSPBio_003596; KBioGR_000723; KBioGR_002351; KBioSS_000912; KBioSS_002354; MLS001165684; MLS001195656; MLS001304708; MLS006011862; BIDD:GT0408; DivK1c_000893; SPECTRUM1503678; SPBio_001512; GTPL2892; Celecoxib, >=98% (HPLC); DTXSID0022777; BDBM11639; CTK8H4475; HMS502M15; KBio1_000893; KBio2_000912; KBio2_002351; KBio2_003480; KBio2_004919; KBio2_006048; KBio2_007487; KBio3_002830; KBio3_003037; EX-A175; SYN3015; cMAP_000027; NINDS_000893; BCPP000290; HMS1922G14; HMS2089L18; HMS2093I07; HMS2234N18; HMS3259L08; HMS3261A14; HMS3373A09; HMS3654H09; HMS3715F11; Pharmakon1600-01503678; ACT02648; BCP02156; EBD24636; KS-00000FW2; ZINC2570895; Tox21_111135; Tox21_201964; Tox21_300599; Tox21_500406; US8741944, Comparative Compound; 4-[5-(p-tolyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide; ABP000291; BBL029086; CCG-39354; NSC719627; NSC758624; s1261; STL373576; Celecoxib 1.0 mg/ml in Acetonitrile; 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1Hpyrazol-1-yl] benzenesulfonamide; AKOS015842517; Tox21_111135_1; AC-4228; AM84588; AT-3762; BCP9000507; Celebrex, Celebra, 169590-42-5; CS-0570; DB00482; KS-1041; MCULE-4750749400; NC00708; NSC-719627; NSC-758624; SB19318; Benzenesulfonamide,4-(5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl); IDI1_000893; NCGC00091455-02; NCGC00091455-03; NCGC00091455-04; NCGC00091455-05; NCGC00091455-06; NCGC00091455-07; NCGC00091455-08; NCGC00091455-09; NCGC00091455-13; NCGC00254540-01; NCGC00259513-01; NCGC00261091-01; AK-60967; BP-30217; CPD000550473; HY-14398; LS-31667; NCI60_041049; PHA-00846533; SAM002589995; SC-50829; SBI-0051875.P002; AB0012055; CJ-016377; CP-598107; UNM-0000305813; FT-0080064; FT-0601628; FT-0623536; FT-0700357; SW199611-3; PF-00345549; A25046; C-6317; C07589; D00567; J10035; AB00052396-07; AB00052396-08; AB00052396-09; AB00052396_10; AB00052396_11; 590C425; Q408801; J-010566; J-520011; Q-200816; SR-01000837528-2; SR-01000837528-3; BRD-K02637541-001-02-4; BRD-K02637541-001-06-5; Z2210694606; Celecoxib, European Pharmacopoeia (EP) Reference Standard; Celecoxib, United States Pharmacopeia (USP) Reference Standard; 4-[5-(4-Methylphenyl)-3-(trifluoromethyl)-pyrazol-1-yl]benzenesulfonamide; 4-[5-(4-Methylphenyl)-3-trifluoromethyl)-1H-pyrazol-yl]benzenesulfonamide; 5-(4-Methylphenyl)-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazole; Celecoxib, Pharmaceutical Secondary Standard; Certified Reference Material; 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyazol-1-yl]benezenesulfonamide; Benzenesulfonamide,4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]-",
"trade_name": "",
"abbrev_name": "",
"description": "nonsteroidal anti-inflammatory drug (NSAID);selective cyclooxygenase-2 (COX-2) inhibitor",
"molecular_formula": "C17H14F3N3O2S",
"molecular_weight": "381.4",
"state": "solid",
"clearance": "Apparent clearance (CL/F), single oral 200 mg dose, healthy subjects = 27.7 L/hr [FDA label].",
"volume_of_distribution": "The apparent volume of distribution at steady state (Vss/F) is about 400 L, suggesting extensive distribution into various tissues. Celecoxib is not preferentially bound to red blood cells [FDA label].\n",
"route_of_elimination": "Celecoxib is eliminated predominantly by hepatic metabolism with little (<3%) unchanged drug recovered in the urine and feces. 57% of the oral dose is excreted in the feces and 27% is excreted into the urine. The primary metabolite in urine and feces was the carboxylic acid metabolite (73%). The amount of glucuronide in the urine is low [FDA label].",
"protein_binding": "97%, primarily to albumin in healthy patients [FDA label].",
"half_life": "The effective half-life is approximately 11 hours when a single 200 mg dose is given to healthy subjects. Terminal half-life is generally variable because of the low solubility of the drug thus prolonging absorption [FDA label].",
"absorption": "Easily absorbed in the gastrointestinal tract. When a single dose of 200 mg is given to healthy subjects, peak plasma levels occur 3 hours after an oral dose. The peak plasma level is 705 ng/mL. Absolute bioavailability studies have not been conducted. When multiple doses are given, steady-state is reached on or before Day 5. When taken with a high-fat meal, peak plasma levels are delayed for about 1 to 2 hours with an increase in total absorption (AUC) of 10% to 20% [FDA label].\n\nA meta-analysis of pharmacokinetic studies has suggested an approximately 40% higher AUC (area under the curve) of celecoxib in black patients compared to Caucasians for unknown reasons [L3296].",
"cid": "2662",
"classification": "G; L; M",
"indications": "Adenomatous polyposis coli; Ankylosing spondylitis; Colon adenoma; Hypertension; Inflammation; Injury; Intestinal polyp; Juvenile idiopathic arthritis; Large intestine polyp; Ligament sprain; Osteoarthritis; Polyp; Rheumatoid arthritis; Soft tissue injury; Spondylitis; Spondyloarthropathy",
"side_effects": "Eye disorder (0.05); Abdominal pain; Abdominal pain upper; Angina pectoris; Angina unstable; Arthralgia; Back pain; Body temperature increased; Bone disorder; Cardiac failure; Cerebrovascular accident; Cerebrovascular disorder; Cough; Deep vein thrombosis; Dermatitis; Diarrhoea; Dizziness; Dyspepsia; Dyspnoea; Flatulence; Gastrointestinal disorder; Gastrointestinal pain; Gastrooesophageal reflux disease; Headache; Hypertension; Infection; Infestation; Insomnia; Mediastinal disorder; Musculoskeletal discomfort; Nasopharyngitis; Nausea; Nervous system disorder; Oedema peripheral; Pharyngitis; Rash; Rhinitis; Sinusitis; Upper respiratory tract infection; Vertigo; Vomiting",
"atc_codes": "L01XX33; M01AH01; G01AE10",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F030501"
],
"references": [
"RC03735"
]
},
{
"compound_ID": "D0020",
"name": "Cephaloglycin",
"synonyms": "Cefaloglycin; CEPHALOGLYCIN; Cephaloglycine; Cefaloglycine; D-Cephaloglycine; Cephaoglycin acid; Cefaloglicina; Cefaloglycinum; Kefglycin; Cephaloglycin anhydrous; D-(-)-Cephaloglycin; Kafocin; 3577-01-3; Cefaloglycine [INN-French]; Cefaloglycinum [INN-Latin]; Cefaloglicina [INN-Spanish]; Lilly 39435; 7-(D-alpha-Aminophenyl-acetamido)cephalosporanic acid; 7-(2-D-alpha-Aminophenylacetamido)cephalosporanic acid; CHEBI:34613; UNII-HD2D469W6U; HD2D469W6U; CEG; HSDB 3214; EINECS 222-696-7; 7-(2-Amino-2-phenylacetamido)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid acetate (ester); 7-(D-2-Amino-2-phenylacetamido)-3-acetoxymethyl-delta(sup 3)-cephem-4-carboxylic acid; 7-(D-2-Amino-2-phenylacetamido)-3-acetoxymethyl-delta(sup3)-cephem-4-carboxylic acid; 3-((Acetyloxy)methyl)-7-((aminophenylacetyl)amino)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid; 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((acetyloxy)methyl)-7-((aminophenylacetyl)amino)-8-oxo-, (6R-(6alpha,7beta(R*)))-; 7-(2-Amino-2-phenylacetamido)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)octane-2-carboxylic acid, acetate inner salt; C18H19N3O6S; 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(2-amino-2-phenylacetamido)-3-(hydroxymethyl)-8-oxo-, acetate (ester), D-; Cefaloglycin (JAN); Cephaloglycin (anhydrous); Cefaloglycin [INN]; Cephaloglycin anhdyous; Epitope ID:174844; SCHEMBL2947; CHEMBL1200971; DTXSID4022781; FUBBGQLTSCSAON-PBFPGSCMSA-N; ZINC3830503; API0001931; DB00689; 3-acetoxymethyl-7beta-[(2R)-2-amino-2-phenylacetamido]-3,4-didehydrocepham-4-carboxylic acid; (6R,7R)-3-(acetoxymethyl)-7-{[(2R)-2-amino-2-phenylacetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-3-[(acetyloxy)methyl]-7-{[(2R)-2-amino-2-phenylacetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; LS-149962; C13440; D01949; Q5057214; (6R,7R)-3-[(acetyloxy)methyl]-7-[(2R)-2-amino-2-phenylacetamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid",
"trade_name": "",
"abbrev_name": "",
"description": "cephalorsporin antibiotic; Antibacterial",
"molecular_formula": "C18H19N3O6S",
"molecular_weight": "405.4",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "Well absorbed following oral administration.",
"cid": "19150",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0201"
],
"references": [
"RC03617"
]
},
{
"compound_ID": "D0021",
"name": "Cerivastatin",
"synonyms": "cerivastatin; cerivastatin acid; 145599-86-6; Cerivastatin [INN:BAN]; UNII-AM91H2KS67; AM91H2KS67; CHEBI:3558; HSDB 7357; (3R,5S,6E)-7-(4-(4-Fluorophenyl)-5-(methoxymethyl)-2,6-bis(1-methylethyl)-3-pyridinyl)-3,5-dihydroxy-6-heptenoic acid; (3R,5S,6E)-7-(4-(p-Fluorophenyl)-2,6-diisopropyl-5-(methoxymethyl)-3-pyridyl)-3,5-dihydroxy-6-heptenoic acid; (3R,5S,6E)-7-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)pyridin-3-yl]-3,5-dihydroxyhept-6-enoic acid; (3R,5S,E)-7-(4-(4-fluorophenyl)-2,6-diisopropyl-5-(methoxymethyl)pyridin-3-yl)-3,5-dihydroxyhept-6-enoic acid; [S-[R*,S*-(E)]]-7-[4-(4-fluorophenyl)-5-methoxymethyl)-2,6bis(1-methylethyl)-3-pyridinyl]-3,5-dihydroxy-6-heptenoate; 6-Heptenoic acid, 7-(4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-bis(1-methylethyl)-3-pyridinyl)-3,5-dihydroxy-, (3R,5S,6E)-; 6-Heptenoic acid, 7-(4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-bis(1-methylethyl)-3-pyridinyl)-3,5-dihydroxy-, (S-(R*,S*-(E)))-; Cervastatin; (3R,5S,6E)-7-{4-(4-fluorophenyl)-2,6-bis(1-methylethyl)-5-[(methyloxy)methyl]pyridin-3-yl}-3,5-dihydroxyhept-6-enoic acid; Cerivastatin (INN); CHEMBL1477; SCHEMBL16346; SCHEMBL16347; BIDD:GT0367; GTPL2950; DTXSID9022786; BDBM18376; CHEBI:94755; SEERZIQQUAZTOL-ANMDKAQQSA-N; HMS2089B11; ZINC11330186; API0000459; DB00439; (E,3R,5S)-7-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)pyridin-3-yl]-3,5-dihydroxyhept-6-enoic acid; HY-129458; LS-183259; LS-187162; CS-0105635; C07966; D07661; AB01275453-01; 599C866; Q423439; SR-01000763520; SR-01000763520-3; BRD-K81169441-236-04-1; (3R,5S,6E)-7-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-bis(propan-2-yl)pyridin-3-yl]-3,5-dihydroxyhept-6-enoic acid",
"trade_name": "Baycol, Lipobay",
"abbrev_name": "",
"description": "synthetic member of the class of statins (HMG-CoA reductase inhibitors); cholesterol-lowering (lipid-lowering)",
"molecular_formula": "C26H34FNO5",
"molecular_weight": "459.5",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "More than 99% of the circulating drug is bound to plasma proteins (80% to albumin).",
"half_life": "2-3 hours",
"absorption": "The mean absolute oral bioavailability 60% (range 39 - 101%).",
"cid": "446156",
"classification": "C",
"indications": "Blood triglycerides increased; Carotid artery disease; Coronary artery disease; Diabetes mellitus; Dyslipidaemia; High density lipoprotein decreased; Hypercholesterolaemia; Hyperlipidaemia; Hypertension; Hypertriglyceridaemia; Low density lipoprotein increased; Peripheral vascular disorder; Premature menopause; Type IIb hyperlipidaemia",
"side_effects": "Abdominal pain; Arthralgia; Asthenia; Back pain; Bronchitis; Chest pain; Constipation; Dermatitis; Diarrhoea; Dizziness; Dyspepsia; Flatulence; Gastrointestinal pain; Headache; Influenza; Injury; Musculoskeletal discomfort; Myalgia; Nausea; Pain in extremity; Pharyngitis; Rash; Rhinitis; Sinusitis",
"atc_codes": "C10AA06",
"group": "Drug",
"drug_type": "",
"target": [
"T004",
"T387"
],
"function": [
"F010401",
"F0108",
"F020103",
"F0504"
],
"references": [
"RC03461",
"RC04659",
"RC04673",
"RC04688"
]
},
{
"compound_ID": "D0022",
"name": "Cetuximab",
"synonyms": "Cetuximab; Cétuximab; Cetuximabum; Immunoglobulin G 1 (human-mouse monoclonal C 225 gamma 1 - chain anti-human epidermal growt factor receptor), disulfide wit human-mouse monoclonal C 225 kappa - chain, dimer",
"trade_name": "",
"abbrev_name": "",
"description": "epidermal growth factor receptor inhibitor; monoclonal antibody; EGFR antigen-binding fragment (FAB); antineoplastic;",
"molecular_formula": "C6484H10042N1732O2023S36",
"molecular_weight": "145781.6",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "X",
"classification": "L",
"indications": "",
"side_effects": "",
"atc_codes": "L01XC06",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0023",
"name": "Chloramphenicol",
"synonyms": "chloramphenicol; 56-75-7; Chloromycetin; Chlornitromycin; Levomycetin; Levomicetina; Halomycetin; Chlorocid; Globenicol; Chloroamphenicol; Alficetyn; Chloramex; Chlorocol; Detreomycin; Oleomycetin; Fenicol; Amphenicol; Aquamycetin; Chloramficin; Chloramfilin; Cloramicol; D-Chloramphenicol; Enteromycetin; Juvamycetin; Laevomycetinum; Leukomycin; Sificetina; Chloronitrin; Ciplamycetin; Detreomycine; Dextromycetin; Intramycetin; Levomitsetin; Mediamycetine; Micochlorine; Novophenicol; Stanomycetin; Amphicol; Amseclor; Anacetin; Austracil; Austracol; Biocetin; Biophenicol; Chemicetin; Chemicetina; Chlomycol; Chloramsaar; Chlorasol; Chloricol; Chlorocaps; Chlorocide; Chloroptic; Chlorovules; Cidocetine; Cloramficin; Cloramidina; Clorocyn; Cloromisan; Clorosintex; Comycetin; Cylphenicol; Doctamicina; Econochlor; Embacetin; Erbaplast; Farmicetina; Hortfenicol; Isicetin; Ismicetina; Isophenicol; Kemicetina; Kemicetine; Leukomyan; Loromisin; Mastiphen; Medichol; Micloretin; Micoclorina; Microcetina; Novomycetin; Ophthochlor; Rivomycin; Ambofen; Catilan; Chlomin; Desphen; Emetren; Enicol; Ertilen; Glorous; Kamaver; Klorita; Mychel; Isopto fenicol; Chlora-tabs; Chlorocidin C; Chloramphenicolum; Chloroject L; Normimycin V; Chlorocid S; Klorocid S; Mychel-Vet; Chloramfenikol; Cloramfenicol; Novochlorocap; Sintomicetina; Synthomycetin; Chloromax; Oftalent; Otachron; Pantovernil; Pentamycetin; Quemicetina; Romphenil; Ronphenil; Septicol; Chloro-25 vetag; Mycinol; Opclor; Otophen; Paraxin; Sintomicetine R; Sno-Phenicol; Chlorocidin C tetran; Cloroamfenicolo; D-(-)-Chloramphenicol; Chloromycetny; Synthomycetine; Treomicetina; Chlorofair; Optomycin; Syntomycin; Tevcocin; Tifomycine; Unimycetin; Veticol; Viceton; Tiromycetin; Cloramfen; Leukamycin; Loromisan; Tifomycin; CAF (pharmaceutical); Ak-chlor; Chloramfenikol [Czech]; Chloromycetny [Polish]; D-(-)-threo-Chloramphenicol; Cloramfenicolo [DCIT]; Tega-Cetin; Chlorbiotic (Veterinary); I 337A; Cloroamfenicolo [Italian]; Chloramphenicol crystalline; Elase-Chloromycetin; Chloramphenicol, d-; U-6062; NCI-C55709; NSC 3069; Cloramfenicol [INN-Spanish]; Chloramphenicolum [INN-Latin]; D-threo-Chloramphenicol; 2,2-dichloro-N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]acetamide; D(-)-threo-Chloramphenicol; CAF; C11H12Cl2N2O5; CCRIS 3922; UNII-66974FR9Q1; CHEBI:17698; D-(-)-threo-1-p-Nitrophenyl-2-dichloroacetylamino-1,3-propanediol; HSDB 3027; NSC3069; EINECS 200-287-4; NSC 16331; CAM; D-(-)-threo-1-p-Nitrophenyl-2-dichloracetamido-1,3-propanediol; BRN 2225532; 2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide; AI3-25003; D-(-)-2,2-Dichloro-N-(beta-hydroxy-alpha-(hydroxymethyl)-p-nitrophenylethyl)acetamide; Chloramphenicol (Chloromycetin); Cloramfenicolo; D-(-)-threo-2-Dichloroacetamido-1-p-nitrophenyl-1,3-propanediol; WIIZWVCIJKGZOK-RKDXNWHRSA-N; D-(-)-threo-1-(4-Nitrophenyl)-2-dichloroacetamido-1,3-propanediol; D-threo-(1R,2R)-1-p-Nitrophenyl-2-dichloroacetamido-1,3-propanediol; MFCD00078159; Acetamide, 2,2-dichloro-N-(2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl)-, (R-(R*,R*))-; Acetamide, 2,2-dichloro-N-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-, [R-(R*,R*)]-; 66974FR9Q1; Chloramphenicol, 98%; NCGC00091011-05; Cloranfenicol; Kloramfenikol; DSSTox_CID_265; D-threo-N-(1,1'-Dihydroxy-1-p-nitrophenylisopropyl)dichloroacetamide; 2,2-Dichloro-N-((1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl)acetamide; 2,2-Dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)-2-propyl]acetamide; 2,2-Dichloro-N-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]acetamide; DSSTox_RID_75473; DSSTox_GSID_20265; Gloveticol; Mycochlorin; Ocuphenicol; Sintomicetin; Tyfomycine; Chlorocin; Halcetin; Levocin; Levoplast; Levosin; Levovetin; Myclocin; Soluthor; Chloroptic S.O.P.; Chemiceticol; Cloramical; Cloromissan; Duphenicol; Interomycetine; Intramyctin; Loromicetina; Ophtochlor; Synthomycine; Chlorsig; Ronfenil; Tevcosin; Myscel; Opelor; D(-)-threo-2-Dichloroacetamido-1-p-nitrophenyl-1,3-propanediol; Chlormycetin R; F armicetina; Ch loramex; Sno Phenicol; D-(-)-threo-2-Dichloroacetamido-1-(4-nitrophenyl)-1,3-propanediol; Vice ton; (-)-chloramphenicol; Tea-Cetin; Acetamide, 2,2-dichloro-N-((1R,2R)-2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl)-; D-threo-(-)-2,2-Dichloro-N-(beta-hydroxy-alpha-(hydroxymethyl)-p-nitrophenethyl)acetamide; Econochlor (TN); N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-2,2-dichloroace tamide; Amphicol (TN); Ophthocort (Salt/Mix); Acetamide, 2,2-dichloro-N-(2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl)-, (theta-(theta,theta))-; Acetamide, 2,2-dichloro-N-(beta-hydroxy-alpha-(hydroxymethyl)-p-nitrophenethyl)-, D-(-)-threo-; ACETAMIDE, 2,2-DICHLORO-N-[(1R,2R)-2-HYDROXY-1-(HYDROXYMETHYL)-2-(4-NITROPHENYL)ETHYL]-; SMR000471851; Chloromyxin (Salt/Mix); Chloromycetin (TN); Chloramphenicol [INN:BAN:JAN]; SR-01000761450; CHLOROPTIC S.O.P; Elase-Chloromycetin (Salt/Mix); chioramphenicol; C.A.F; Chloramphenicole; CAS-56-75-7; NCGC00094620-01; Thiamphenicol,(S); D-(-)-threo-2,2-Dichloro-N-(.beta.-hydroxy-.alpha.-(hydroxymethyl))-p-nitrophenethylacetamide; D-(-)-threo-2,2-Dichloro-N-[.beta.-hydroxy-.alpha.-(hydroxymethyl)]-p-nitrophenethylacetamide; Chloramphenicol [USP:INN:BAN:JAN]; Chloramphenicol,(S); PubChem20321; Prestwick3_000031; CHEMBL130; Epitope ID:114066; SCHEMBL16111; BSPBio_000121; WLN: WNR DYQY1QMVYGG; 4-13-00-02742 (Beilstein Handbook Reference); Chloramphenicol(Chloromycetin); MLS001055372; MLS001066397; MLS001332385; MLS001332386; MLS002222155; ARONIS23913; BIDD:GT0145; DivK1c_000544; BPBio1_000135; D-(-)-threo-1-(p-Nitrophenyl)-2-(dichloroacetylamino)-1,3-propanediol; D-(-)-threo-N-Dichloroacetyl-1-p-nitrophenyl-2-amino-1,3-propanediol; DTXSID7020265; BDBM23447; Chloramphenicol, gamma-irradiated; CTK4B4374; HMS501L06; KBio1_000544; KS-00000XTX; BBC/192; BIC0113; D(-)-threo-2-dichloroacetamido-1-p-nitrophenyl-propanediol; NINDS_000544; ZX-AFC000642; Chloramphenicol (JP17/USP/INN); D(-)-threo-2-dichloroacetamido-1-p-nitrophen yl-propanediol; HMS2090M15; HMS2095G03; HMS2269N06; HMS3712G03; ZINC113382; Chloramphenicol, >=98% (HPLC); Acetamide, 2,2-dichloro-N-(.beta.-hydroxy-.alpha.-(hydroxymethyl)-p-nitrophenethyl)-, D-(-)-threo-; Acetamide, 2,2-dichloro-N-[.beta.-hydroxy-.alpha.-(hydroxymethyl)-p-nitrophenethyl]-, D-threo-(-)-; BCP12150; D-(-)-threo-2,2-Dichloro-N-(.beta.-hydroxy-.alpha.-(hydroxymethyl)-p-nitrophenyl-ethyl)acetamide; D-threo-N-Dichloroacetyl-1-p-nitrophenyl-2-amino-1,3-propanediol; HY-B0239; NSC-3069; RKL10087; Tox21_111306; Tox21_400061; LS-225; s1677; SBB057728; AKOS005111001; AB02994; CCG-220031; CS-2207; DB00446; MCULE-7778960570; IDI1_000544; KS-000048O2; SMP1_000065; NCGC00091011-01; NCGC00091011-02; NCGC00091011-03; NCGC00091011-04; NCGC00091011-06; NCGC00091011-08; NCGC00091011-09; AK174225; AS-14683; CC-25647; CPD000471851; M163; NCI60_002620; SAM002589931; SC-18476; ST024743; AB0015087; AB1009524; Chloramphenicol, puriss., 98.0-102.0%; AB00374860; Chloramphenicol, tested according to Ph.Eur.; FT-0602995; SW198497-2; C-3307; C00918; Chloramphenicol 100 microg/mL in Ethyl acetate; D00104; W-2830; AB00374860-13; AB00374860-14; AB00374860_15; Chloramphenicol, meets USP testing specifications; C-19742; Q274515; Chloramphenicol, VETRANAL(TM), analytical standard; SR-01000761450-2; SR-01000761450-3; SR-01000761450-5; BRD-K08111712-001-02-7; BRD-K08111712-001-16-7; Chloramphenicol, Antibiotic for Culture Media Use Only; Chloramphenicol, BioReagent, suitable for plant cell culture; Chloramphenicol, certified reference material, TraceCERT(R); Chloramphenicol, British Pharmacopoeia (BP) Reference Standard; Chloramphenicol, European Pharmacopoeia (EP) Reference Standard; Chloramphenicol, United States Pharmacopeia (USP) Reference Standard; D-(-)-threo-1-(p-nitrophenyl)-2-dichloroacetamido-1,3-propanediol; D-threo-1-(p-Nitrophenyl)-2-(dichloroacetylamino)-1,3-propanediol; D-threo-N-dichloroacetyl-1-p-nitrophenyl-2-amino-1,3-propane-diol; CHLORAMPHENICOL (SEE ALSO CHLORAMPHENICOL NA SUCCINATE 982-57-0); D-( -)-threo-1-(p-nitrophenyl)-2-dichloroacetamido-1,3-propanediol; Acetamide,2-dichloro-N-[.beta.-hydroxy-.alpha.-(hydroxymethyl)-p-nitrophenethyl]; Chloramphenicol, Biotechnology Performance Certified, suitable for plant cell culture; D-(-)-2,2-Dichloro-N-(.beta.-hydroxy-.alpha.-(hydroxymethyl)-p-nitrophenyl-ethyl)acetamide; D-(-)-threo-2,2-Dichloro-N-[beta-hydroxy-alpha-(hydroxy-methyl)-p-nitrophenethyl]acetamide; D-threo-2,2-Dichloro-N-[beta-hydroxy-alpha-(hydroxymethyl)-4-nitrophenethyl]acetamide; 2,2-Dichloro-N-(2-hydroxy-1-(hydroxymethyl)-2-(4-(hydroxy(oxido)amino)phenyl)ethyl)acetamide, (1R, 2R)-; 2787-09-9; Acetamide, 2,2-dichloro-N-(2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl)-, (R*,R*)-(+-)-; Acetamide, 2,2-dichloro-N-(beta-hydroxy-alpha-(hydroxymethyl)-p-nitrophenethyl)-,D-(-)-threo-; Acetamide, 2,2-dichloro-N-[2-hydroxy-1-(hydroxymethyl)-2-(4- nitrophenyl)ethyl]-, [R-(R*,R*)]-; Acetamide,2-dichloro-N-[.beta.-hydroxy-.alpha.-(hydroxymethyl)-p-nitrophenethyl]-, D-threo-(-)-; Acetamide,2-dichloro-N-[.beta.-hydroxy-.alpha.-(hydroxymethyl)-p-nitrophenethyl]-,D-(-)-threo-; Acetamide,2-dichloro-N-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-, [R-(R*,R*)]-; Chloramphenicol 10 microg/mL in Acetonitrile. Short expiry date due to chemical nature of component(s); D-(-)-threo-2,2-Dichloro-N-[beta-hydroxy-alpha-(hydroxymethyl)-beta-(4-nitrophenyl)ethyl]acetamide; D-(-)-threo-alpha, alpha-Dichloro-N-(beta-hydroxy-alpha-(hydroxymethyl)-p-nitrophenethyl)acetamide",
"trade_name": "",
"abbrev_name": "CAP",
"description": "broad-spectrum antibiotic; antibacterial",
"molecular_formula": "C11H12Cl2N2O5",
"molecular_weight": "323.13",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "Plasma protein binding is 50-60% in adults and 32% is premature neonates.",
"half_life": "Half-life in adults with normal hepatic and renal function is 1.5 - 3.5 hours. In patients with impaired renal function half-life is 3 - 4 hours. In patients with severely impaired hepatic function half-life is 4.6 - 11.6 hours. Half-life in children 1 month to 16 years old is 3 - 6.5 hours, while half-life in infants 1 to 2 days old is 24 hours or longer and is highly variable, especially in low birth-weight infants.",
"absorption": "Rapidly and completely absorbed from gastrointestinal tract following oral administration (bioavailability 80%). Well absorbed following intramuscular administration (bioavailability 70%). Intraocular and some systemic absorption also occurs after topical application to the eye.",
"cid": "5959",
"classification": "D; G; J; S",
"indications": "Bacteraemia; Conjunctivitis bacterial; Conjunctivitis infective; Cystic fibrosis; Eye infection; Infection; Meningitis; Otitis externa; Otitis media chronic; Pneumonia chlamydial; Psittacosis; Typhoid fever",
"side_effects": "",
"atc_codes": "D06AX02; G01AA05; J01BA01; S01AA01; D10AF03; S03AA08; S02AA01",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F021401",
"F030604",
"F031001",
"F0604"
],
"references": [
"RC03615",
"RC03830",
"RC03879",
"RC03880",
"RC03881",
"RC03899"
]
},
{
"compound_ID": "D0024",
"name": "Chlorpromazine",
"synonyms": "chlorpromazine; Thorazine; Largactil; Contomin; Chloropromazine; 50-53-3; Chlorderazin; Aminazine; Chlorpromados; Fenactil; Megaphen; Propaphenin; Clorpromazina; 2-Chloropromazine; Aminazin; Ampliactil; Fenaktyl; Largactyl; Phenactyl; Promactil; Promazil; Psychozine; Sanopron; Torazina; Wintermin; Elmarin; Esmind; Prozil; Proma; Chlor-Promanyl; Largactilothiazine; Chlorpromazin; Chlorpromazinum; Novomazina; Fraction AB; 3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine; Amplictil; SKF 2601-A; Cromedazine; Plegomasine; Aminasine; Amplicitil; HL 5746; Thorazine Suppositories; Clorpromazina [Italian]; BC 135; Chlor-PZ; CPZ; N-(3-Dimethylaminopropyl)-3-chlorophenothiazine; Chlorpromazinum [INN-Latin]; Clorpromazina [INN-Spanish]; 10H-Phenothiazine-10-propanamine, 2-chloro-N,N-dimethyl-; Chlorpromazine Tannate; HSDB 3033; 3-(2-chlorophenothiazin-10-yl)-N,N-dimethyl-propan-1-amine; 4560 R.P.; UNII-U42B7VYA4P; C17H19ClN2S; Propaphen; CCRIS 3711; CHEBI:3647; ZPEIMTDSQAKGNT-UHFFFAOYSA-N; 2-chloro-N,N-dimethyl-10H-Phenothiazine-10-propanamine; 2-Cloro-10 (3-dimetilaminopropil)fenotiazina; CHEMBL71; EINECS 200-045-8; NSC 167745; 3-(2-Chloro-10H-phenothiazin-10-yl)-N,N-dimethyl-1-propanamine; 2-Chloro-10-(3-(dimethylamino)propyl)phenothiazine; 2-Chloro-10-[3-(dimethylamino)propyl]phenothiazine; Chloro-3 (dimethylamino-3 propyl)-10 phenothiazine; Thorazine hydrochloride; U42B7VYA4P; 2-Cloro-10 (3-dimetilaminopropil)fenotiazina [Italian]; Chloro-3 (dimethylamino-3 propyl)-10 phenothiazine [French]; Phenothiazine hydrochloride; Hibanil; Unitensen; Phenothiazine, 2-chloro-10-(3-(dimethylamino)propyl)-; Phenothiazine, 2-chloro-10-[3-(dimethylamino)propyl]-; NCGC00015273-11; Chlordelazine; DSSTox_CID_2808; DSSTox_RID_76736; DSSTox_GSID_22808; 34468-21-8; 4560 Rp hydrochloride; [3-(2-chloro-10H-phenothiazin-10-yl)propyl]dimethylamine; Prazilpromactil; Chlordelazin; Phenathyl; CAS-50-53-3; Thorazine (TN); Z80; NSC17479; Chlorpromazine [USAN:INN:BAN]; [3-(2-chloro-10H-phenothiazin-10-yl)propyl]dimethylamine hydrochloride; CAS-69-09-0; Chlorpromazine (USP/INN); Chlorpromazine cation radical; Chlropromados; Fraction; JHICC02042; Chlorpromazine [USP:INN:BAN]; SKF 2601A; SKF-2601; GG 407; Hibernal (Salt/Mix); Lomazine (Salt/Mix); Tranzine (Salt/Mix); Norcozine (Salt/Mix); Spectrum_000142; 3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine; Prestwick0_000064; Prestwick1_000064; Prestwick2_000064; Prestwick3_000064; Spectrum2_001156; Spectrum3_000346; Spectrum4_000283; Spectrum5_000717; Lopac-C-8138; Biomol-NT_000020; Epitope ID:136898; GTPL83; 10H-Phenothiazine-10-propanamine, 2-chloro-N,N-dimethyl-, radical ion(1+); SCHEMBL8321; 10-(3-Dimethylaminopropyl)-2-chlorophenothiazine; 2-Chloro-10-(3-dimethylaminopropyl)phenothiazine; Lopac0_000249; Oprea1_110255; BSPBio_000247; BSPBio_002011; KBioGR_000806; KBioGR_002312; KBioSS_000622; KBioSS_002314; MLS003166901; DivK1c_000624; SPECTRUM1500184; 2-chloro-10-(3-(dimethylamino)propyl)-phenothiazine; SPBio_001111; SPBio_002168; BPBio1_000273; BPBio1_001181; QSPL 401; DTXSID0022808; CTK1C5154; HMS501P06; KBio1_000624; KBio2_000622; KBio2_002312; KBio2_003190; KBio2_004880; KBio2_005758; KBio2_007448; KBio3_001231; KBio3_002792; ZINC44027; cMAP_000017; NINDS_000624; Bio1_000457; Bio1_000946; Bio1_001435; HMS1920M03; HMS2089C12; HMS2091E06; HMS3430C19; KUC112482N; Pharmakon1600-01500184; ALBB-022464; BCP03610; KS-00002WW5; Tox21_110120; BBL028251; BDBM50001888; CCG-40059; NSC167745; NSC756689; STK182870; AKOS001490972; Tox21_110120_1; API0001970; DB00477; KS-5101; MCULE-5976054678; NSC-167745; NSC-756689; RP-4560; IDI1_000624; QTL1_000021; NCGC00015273-01; NCGC00015273-02; NCGC00015273-03; NCGC00015273-04; NCGC00015273-05; NCGC00015273-06; NCGC00015273-07; NCGC00015273-08; NCGC00015273-09; NCGC00015273-10; NCGC00015273-12; NCGC00015273-13; NCGC00015273-14; NCGC00015273-15; NCGC00015273-16; NCGC00015273-17; NCGC00015273-19; NCGC00024409-04; NCGC00024409-05; NCGC00024409-06; NCGC00024409-07; NCGC00024409-08; 4560 R.P; KSC-315-032-; M176; SC-50091; SMR001453710; 2-chloro-10-[3-(dimethylamino)propyl]-; SBI-0050237.P004; AB0015094; AX8120990; LS-105361; WLN: T C666 BN ISJ B3N1&1 EG; 2601A; AB00051943; FT-0653683; R1242; 2601-A; C06906; D00270; J10069; M-1209; AB00051943-15; AB00051943-16; AB00051943_17; AB00051943_18; L000182; Q407972; SR-01000000012-5; SR-01000000012-6; BRD-K89997465-001-05-3; 1N,1N-dimethyl-3-(2-chloro-10H-10-phenothiazinyl)-1-propanamine; 3-(2-Chloro-10H-phenothiazin-10-yl)-N,N-dimethyl-1-propanamine #; (chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)-propyl]-dimethyl-amine; (chlorpromazine)[3-(2-Chloro-phenothiazin-10-yl)-propyl]-dimethyl-amine; [3-(2-Chloro-phenothiazin-10-yl)-propyl]-dimethyl-amine (chlor-promazine); [3-(2-Chloro-phenothiazin-10-yl)-propyl]-dimethyl-amine( Chlorpromazine); [3-(2-Chloro-phenothiazin-10-yl)-propyl]-dimethyl-amine(clorpromazine); Chlorpromazine;[3-(2-Chloro-phenothiazin-10-yl)-propyl]-dimethyl-amine",
"trade_name": "",
"abbrev_name": "",
"description": "Antipsychotic; neuroleptics; prototypical phenothiazine antipsychotic drug; antiemetic;",
"molecular_formula": "C17H19ClN2S",
"molecular_weight": "318.9",
"state": "liquid",
"clearance": "",
"volume_of_distribution": "* 20 L/kg",
"route_of_elimination": "Kidneys, ~ 37% excreted in urine",
"protein_binding": "> 90% to plasma proteins, primarily albumin",
"half_life": "~ 30 hours",
"absorption": "Readily absorbed from the GI tract. Bioavailability varies due to first-pass metabolism by the liver.",
"cid": "2726",
"classification": "N",
"indications": "Affect lability; Anxiety; Bipolar disorder; Bipolar I disorder; Conduct disorder; Disturbance in social behaviour; Electroencephalogram abnormal; Foetor hepaticus; Frustration; Hepatocellular injury; Hiccups; Hyperkinesia; Liver disorder; Mitral valve incompetence; Mood swings; Nausea; Porphyria acute; Psychotic disorder; Schizophrenia; Tetanus; Vomiting",
"side_effects": "",
"atc_codes": "N05AA01",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T002",
"T004",
"T005",
"T019",
"T213",
"T387"
],
"function": [
"F010401",
"F010503",
"F0108",
"F02010103",
"F02010104",
"F02010202",
"F020103",
"F02040101",
"F020403",
"F02110305",
"F0504"
],
"references": [
"RC00127",
"RC00128",
"RC00129",
"RC00130",
"RC00131",
"RC00532",
"RC00533",
"RC00894",
"RC00895",
"RC00896",
"RC00897",
"RC00978",
"RC03619",
"RC03816",
"RC04651",
"RC04665",
"RC04680",
"RC04883"
]
},
{
"compound_ID": "D0025",
"name": "Chromium",
"synonyms": "Chromium; 7440-47-3; Chrom; Chrome; Chromium compounds; cromo; Chromium metal; Chrome [French]; Chrom [German]; chromide(1-); Chromium, elemental; Cr; chromium atom; Chromium, metal; CCRIS 159; UNII-0R0008Q3JB; HSDB 910; EINECS 231-157-5; 24Cr; CHEBI:28073; Chromium, metal and insol. salts; 0R0008Q3JB; Chromium, metal and chromium(III) compounds; Chromium metal [Chromium and chromium compounds]; Chromium, 99+%, pure, powder; MFCD00010944; chromium anion; chromide(-I); Chromium Trituration; Chromium Yeast Dark; Chromium Yeast Light; Chromium Citrate Trit; Epitope ID:114071; EC 231-157-5; Chromium Arginate 7% 40M; KSC377Q0J; Cr(-); Chromium Histidinate 8% 40M; Chromium, puriss., 98.0%; DTXSID3031022; CHEBI:33010; CTK2H7804; Chromium Lysinate 0.28% 40M; CHROMIUM, 99.5% LUMP; Chromium Yeast 0.2% Blend Only; VYZAMTAEIAYCRO-UHFFFAOYSA-N; 8493AF; AKOS015833211; DB11136; LS-1640; TRA0169986; KS-0000117I; Chromium, powder, 99.5%, -100 mesh; LS-53406; AB1002920; Chromium, coating quality, 99.95%, grit; RT-000104; Chromium, chips, thickness ~2 mm, 99.5%; Chromium flakes, 2-12mm (0.08-0.47in); Chromium Molybdenum Trituration 1% 60 Mesh; Chromium Polynicotinate/Nicotinate 0.2% 40M; Chromium Rice Chelate 1% 40M w/Cr Arginate; C06268; Chromium, chips, 99.995% trace metals basis; Chromium, chunks, >=99.99% trace metals basis; Chromium, bar, 100mm x 2mm x 2mm, 99.7+%; Chromium, rod, 10mm, diameter 2.0mm, 99.7+%; Chromium, rod, 10mm, diameter 5.0mm, 99.7+%; Chromium, rod, 25mm, diameter 2.0mm, 99.7+%; Chromium, rod, 25mm, diameter 5.0mm, 99.7+%; Chromium, rod, 50mm, diameter 2.0mm, 99.7+%; Chromium, rod, 50mm, diameter 5.0mm, 99.7+%; Chromium, rod, 100mm, diameter 2.0mm, 99.7+%; Chromium, rod, 100mm, diameter 5.0mm, 99.7+%; Q27115184; Chromium, plasma standard solution, Specpure, Cr 10g/ml; Chromium, powder, >=99% trace metals basis, -325 mesh; Chromium, foil, 100x100mm, thickness 3.0mm, hard, 99.95%; Chromium, foil, 25x25mm, thickness 2.0mm, hard, 99.7+%; Chromium, foil, 50x50mm, thickness 2.0mm, hard, 99.7+%; Chromium, foil, 50x50mm, thickness 3.0mm, hard, 99.95%; Chromium, Oil based standard solution, Specpure, Cr 5000g/g; Chromium, rod, 0.5 mm diameter, length 50 mm, purity 99.7+%; Chromium, rod, 1.0 mm diameter, length 50 mm, purity 99.7+%; Chromium, rod, 8.0 mm diameter, length 100 mm, purity 99.7+%; Chromium, rod, 8.0 mm diameter, length 50 mm, purity 99.7+%; Chromium, rod, length 25 mm, 0.5 mm diameter, purity 99.7+%; Chromium, foil, thickness 0.5 mm, size 10 x 10 mm, purity 99.7+%; Chromium, foil, thickness 0.5 mm, size 100 x 100 mm, purity 99.99%; Chromium, foil, thickness 0.5 mm, size 12.5 x 12.5 mm, purity 99.99%; Chromium, foil, thickness 0.5 mm, size 25 x 25 mm, purity 99.99%; Chromium, foil, thickness 0.5 mm, size 50 x 50 mm, purity 99.99%; Chromium, foil, thickness 0.75 mm, size 25 x 25 mm, tolerance 0.2; Chromium, foil, thickness 1.0 mm, size 100 x 100 mm, purity 99.99%; Chromium, foil, thickness 1.0 mm, size 12.5 x 12.5 mm, purity 99.99%; Chromium, foil, thickness 1.0 mm, size 25 x 25 mm, purity 99.99%; Chromium, foil, thickness 1.0 mm, size 50 x 50 mm, purity 99.99%; Chromium, foil, thickness 1.0 mm, size 75 x 75 mm, purity 99.99%; Chromium, foil, thickness 1.5 mm, size 100 x 100 mm, purity 99.99%; Chromium, foil, thickness 1.5 mm, size 25 x 25 mm, purity 99.99%; Chromium, foil, thickness 1.5 mm, size 50 x 50 mm, purity 99.99%; Chromium, foil, thickness 2.0 mm, size 100 x 100 mm, purity 99.99%; Chromium, foil, thickness 2.0 mm, size 25 x 25 mm, purity 99.99%; Chromium, foil, thickness 2.0 mm, size 50 x 50 mm, purity 99.99%; Chromium, lump, 10 mm max. lump size, weight 10 g, purity 99.99%; Chromium, lump, 10 mm max. lump size, weight 100 g, purity 99.95%; Chromium, lump, 10 mm max. lump size, weight 100 g, purity 99.99%; Chromium, lump, 10 mm max. lump size, weight 20 g, purity 99.95%; Chromium, lump, 10 mm max. lump size, weight 20 g, purity 99.99%; Chromium, lump, 10 mm max. lump size, weight 200 g, purity 99.95%; Chromium, lump, 10 mm max. lump size, weight 200 g, purity 99.99%; Chromium, lump, 10 mm max. lump size, weight 50 g, purity 99.95%; Chromium, lump, 10 mm max. lump size, weight 50 g, purity 99.99%; Chromium, lump, 25 mm max. lump size, weight 100 g, purity 99.95%; Chromium, lump, 25 mm max. lump size, weight 1000 g, purity 99.95%; Chromium, lump, 25 mm max. lump size, weight 200 g, purity 99.95%; Chromium, lump, 25 mm max. lump size, weight 50 g, purity 99.95%; Chromium, lump, 25 mm max. lump size, weight 500 g, purity 99.95%; Chromium, powder, mean particle size <10 micron, weight 20 g, purity 99%; Chromium, powder, mean particle size <10 micron, weight 50 g, purity 99%; Chromium sputtering target, 50.8mm (2.0in) dia x 6.35mm (0.250in) thick; Chromium sputtering target, 76.2mm (3.0in) dia x 3.18mm (0.125in) thick; Chromium, powder, <10 mean particle size (micron), weight 100 g, purity 99%; Chromium, powder, <10 mean particle size (micron), weight 200 g, purity 99%; Chromium, powder, 200 max. part. size (micron), weight 200 g, purity 99.0+%; Chromium, powder, 200 max. part. size (micron), weight 2000 g, purity 99.0+%; Chromium, powder, 200 max. part. size (micron), weight 50 g, purity 99.0+%; Chromium, powder, 38 max. part. size (micron), weight 100 g, purity 99.0+%; Chromium, powder, max. particle size 200 micron, weight 100 g, purity 99.+%; Chromium, powder, max. particle size 200 micron, weight 1000 g, purity 99.+%; Chromium, powder, max. particle size 200 micron, weight 500 g, purity 99.+%; Chromium, powder, max. particle size 38 micron, weight 1000 g, purity 99.+%; Chromium, powder, max. particle size 38 micron, weight 200 g, purity 99.+%; Chromium, powder, max. particle size 38 micron, weight 50 g, purity 99.+%; Chromium, powder, max. particle size 38 micron, weight 500 g, purity 99.+%; Chromium, powder, max. particle size 45 micron, weight 100 g, min. particle size 38 micron; Chromium, powder, max. particle size 45 micron, weight 200 g, min. particle size 38 micron; Chromium, powder, max. particle size 45 micron, weight 50 g, min. particle size 38 micron; Chromium, powder, max. particle size 45 micron, weight 500 g, min. particle size 38 micron; 19498-56-7; Chromium, foil, light tested, 25x25mm, thickness 0.005mm, permanent polyester support, 99.99+%; Chromium, foil, light tested, 25x25mm, thickness 0.006mm, permanent polyester support, 99.99+%; Chromium, foil, light tested, 25x25mm, thickness 0.007mm, permanent polyester support, 99.99+%; Chromium, foil, light tested, 25x25mm, thickness 0.008mm, permanent polyester support, 99.99+%; Chromium, foil, light tested, 25x25mm, thickness 0.009mm, permanent polyester support, 99.99+%; Chromium, foil, light tested, 25x25mm, thickness 0.0125mm, permanent polyester support, 99.99+%; Chromium, foil, light tested, 25x25mm, thickness 0.015mm, permanent polyester support, 99.99+%; Chromium, foil, light tested, 25x25mm, thickness 0.01mm, permanent polyester support, 99.99+%; Chromium, foil, light tested, 25x25mm, thickness 0.025mm, permanent polyester support, 99.99+%; Chromium, foil, light tested, 25x25mm, thickness 0.02mm, permanent polyester support, 99.99+%; Chromium, foil, light tested, 25x25mm, thickness 0.03mm, permanent polyester support, 99.99+%; Chromium, foil, light tested, 25x25mm, thickness 0.04mm, permanent polyester support, 99.99+%; Chromium, foil, light tested, 25x25mm, thickness 0.05mm, permanent polyester support, 99.99+%; Chromium, foil, light tested, 25x25mm, thickness 0.075mm, permanent polyester support, 99.99+%; Chromium, foil, not light tested, 100x100mm, thickness 0.0125mm, permanent polyester support, 99.99+%; Chromium, foil, not light tested, 100x100mm, thickness 0.015mm, permanent polyester support, 99.99+%; Chromium, foil, not light tested, 100x100mm, thickness 0.01mm, permanent polyester support, 99.99+%; Chromium, foil, not light tested, 100x100mm, thickness 0.025mm, permanent polyester support, 99.99+%; Chromium, foil, not light tested, 100x100mm, thickness 0.02mm, permanent polyester support, 99.99+%; Chromium, foil, not light tested, 100x100mm, thickness 0.03mm, permanent polyester support, 99.99+%; Chromium, foil, not light tested, 100x100mm, thickness 0.04mm, permanent polyester support, 99.99+%; Chromium, foil, not light tested, 100x100mm, thickness 0.05mm, permanent polyester support, 99.99+%; Chromium, foil, not light tested, 25x25mm, thickness 0.0015mm, permanent polyester support, 99.99+%; Chromium, foil, not light tested, 25x25mm, thickness 0.001mm, permanent polyester support, 99.99+%; Chromium, foil, not light tested, 25x25mm, thickness 0.0025mm, permanent polyester support, 99.99+%; Chromium, foil, not light tested, 25x25mm, thickness 0.002mm, permanent polyester support, 99.99+%; Chromium, foil, not light tested, 25x25mm, thickness 0.003mm, permanent polyester support, 99.99+%; Chromium, foil, not light tested, 25x25mm, thickness 0.004mm, permanent polyester support, 99.99+%; Chromium, foil, not light tested, 25x25mm, thickness 0.005mm, permanent polyester support, 99.99+%; Chromium, foil, not light tested, 25x25mm, thickness 0.006mm, permanent polyester support, 99.99+%; Chromium, foil, not light tested, 25x25mm, thickness 0.007mm, permanent polyester support, 99.99+%; Chromium, foil, not light tested, 25x25mm, thickness 0.009mm, permanent polyester support, 99.99+%; Chromium, foil, not light tested, 25x25mm, thickness 0.0125mm, permanent polyester support, 99.99+%; Chromium, foil, not light tested, 25x25mm, thickness 0.015mm, permanent polyester support, 99.99+%; Chromium, foil, not light tested, 25x25mm, thickness 0.01mm, permanent polyester support, 99.99+%; Chromium, foil, not light tested, 25x25mm, thickness 0.025mm, permanent polyester support, 99.99+%; Chromium, foil, not light tested, 25x25mm, thickness 0.02mm, permanent polyester support, 99.99+%; Chromium, foil, not light tested, 25x25mm, thickness 0.03mm, permanent polyester support, 99.99+%; Chromium, foil, not light tested, 25x25mm, thickness 0.04mm, permanent polyester support, 99.99+%; Chromium, foil, not light tested, 25x25mm, thickness 0.05mm, permanent polyester support, 99.99+%; Chromium, foil, not light tested, 25x25mm, thickness 0.075mm, permanent polyester support, 99.99+%; Chromium, foil, not light tested, 50x50mm, thickness 0.001mm, permanent polyester support, 99.99+%; Chromium, foil, not light tested, 50x50mm, thickness 0.0025mm, permanent polyester support, 99.99+%; Chromium, foil, not light tested, 50x50mm, thickness 0.002mm, permanent polyester support, 99.99+%; Chromium, foil, not light tested, 50x50mm, thickness 0.003mm, permanent polyester support, 99.99+%; Chromium, foil, not light tested, 50x50mm, thickness 0.004mm, permanent polyester support, 99.99+%; Chromium, foil, not light tested, 50x50mm, thickness 0.005mm, permanent polyester support, 99.99+%; Chromium, foil, not light tested, 50x50mm, thickness 0.006mm, permanent polyester support, 99.99+%; Chromium, foil, not light tested, 50x50mm, thickness 0.007mm, permanent polyester support, 99.99+%; Chromium, foil, not light tested, 50x50mm, thickness 0.008mm, permanent polyester support, 99.99+%; Chromium, foil, not light tested, 50x50mm, thickness 0.009mm, permanent polyester support, 99.99+%; Chromium, foil, not light tested, 50x50mm, thickness 0.0125mm, permanent polyester support, 99.99+%; Chromium, foil, not light tested, 50x50mm, thickness 0.015mm, permanent polyester support, 99.99+%; Chromium, foil, not light tested, 50x50mm, thickness 0.01mm, permanent polyester support, 99.99+%; Chromium, foil, not light tested, 50x50mm, thickness 0.025mm, permanent polyester support, 99.99+%; Chromium, foil, not light tested, 50x50mm, thickness 0.02mm, permanent polyester support, 99.99+%; Chromium, foil, not light tested, 50x50mm, thickness 0.03mm, permanent polyester support, 99.99+%; Chromium, foil, not light tested, 50x50mm, thickness 0.04mm, permanent polyester support, 99.99+%; Chromium, foil, not light tested, 50x50mm, thickness 0.05mm, permanent polyester support, 99.99+%; Chromium, foil, not light tested, 50x50mm, thickness 0.075mm, permanent polyester support, 99.99+%; Chromium, microfoil, disks, 10mm, thinness 0.025mum, specific density 18.21mug/cm2, permanent mylar 3.5mum support, 99.99+%; Chromium, microfoil, disks, 10mm, thinness 0.05mum, specific density 37.27mug/cm2, permanent mylar 3.5mum support, 99.99+%; Chromium, microfoil, disks, 10mm, thinness 0.25mum, specific density 178.7mug/cm2, permanent mylar 3.5mum support, 99.99+%; Chromium, microfoil, disks, 10mm, thinness 0.5mum, specific density 355mug/cm2, permanent mylar 3.5mum support, 99.99+%; Chromium, microfoil, disks, 10mm, thinness 1.0mum, specific density 719mug/cm2, permanent mylar 3.5mum support, 99.99+%; Chromium, microfoil, disks, 25mm, thinness 0.05mum, specific density 37.27mug/cm2, permanent mylar 3.5mum support, 99.99+%; Chromium, microfoil, disks, 25mm, thinness 0.25mum, specific density 178.7mug/cm2, permanent mylar 3.5mum support, 99.99+%; Chromium, microfoil, disks, 25mm, thinness 0.5mum, specific density 355mug/cm2, permanent mylar 3.5mum support, 99.99+%; Chromium, microfoil, disks, 25mm, thinness 1.0mum, specific density 719mug/cm2, permanent mylar 3.5mum support, 99.99+%; Chromium, powder, max. particle size 45 micron, weight 1000 g, min. particle size 38 micron; Chromium, sputtering target, diam. x thickness 3.00 in. x 0.125 in., 99.95% trace metals basis",
"trade_name": "",
"abbrev_name": "",
"description": "chemical elemen",
"molecular_formula": "Cr",
"molecular_weight": "51.996",
"state": "solid",
"clearance": "Excretion of chromium is via the kidneys ranges from 3 to 50 μg/day [FDA Label]. The 24-hour urinary excretion rates for normal human subjects are reported to be 0.22 μg/day [L1990].",
"volume_of_distribution": "Absorbed chromium is distributed to all tissues of the body and its distribution in the body depends on the species, age, and chemical form [L1990]. Circulating Cr (III) following oral or parenteral administration of different compounds can be taken up by tissues and accumulates in the liver, kidney, spleen, soft tissue, and bone [L1986].",
"route_of_elimination": "Absorbed chromium is excreted mainly in the urine, accounting for 80% of total excretion of chromium; small amounts are lost in hair, perspiration and bile [L1982]. Chromium is excreted primarily in the urine by glomerular filtration or bound to a low molecular-weight organic transporter [L1990].",
"protein_binding": "In the blood, 95% of chromium (III) is bound to large molecular mass proteins, such as transferrin, while a small proportion associates with low molecular mass oligopeptides [L1983]. Serum chromium is bound to transferrin in the beta globulin fraction [FDA Label].",
"half_life": "The elimination half-life of hexavalent chromium is 15 to 41 hours [L1982].",
"absorption": "Chromium compounds are both absorbed by the lung and the gastrointestinal tract. Oral absorption of chromium compounds in humans can range between 0.5% and 10%, with the hexavalent (VI) chromium more easily absorbed than the trivalent (III) form [L1982]. Absorption of chromium from the intestinal tract is low, ranging from less than 0.4% to 2.5% of the amount consumed [L1986]. Vitamin C and the vitamin B niacin is reported to enhance chromium absorption [L1986].\n\nMost hexavalent Cr (VI) undergoes partial intragastric reduction to Cr (III) upon absorption, which is an action mainly mediated by sulfhydryl groups of amino acids [L1982]. Cr (VI) readily penetrates cell membranes and chromium can be found in both erythrocytes and plasma after gastrointestinal absorption of Cr (IV). In comparison, the presence of chromium is limited to the plasma as Cr (III) displays poor cell membrane penetration [L1982]. Once transported through the cell membrane, Cr (VI) is rapidly reduced to Cr (III), which subsequently binds to macromolecules or conjugate with proteins. Cr (III) may be bound to transferrin or other plasma proteins, or as complexes, such as glucose tolerance factor (GTF).",
"cid": "23976",
"classification": "Others",
"indications": "Haemolytic anaemia; Senile dementia",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0026",
"name": "Ciglitazone",
"synonyms": "ciglitazone; 74772-77-3; Ciglitizone; ADD-3878; Ciglitazona; Ciglitazonum; Ciglitazonum [Latin]; Ciglitazona [Spanish]; Ciglitazone [USAN:INN]; ADD 3878; CHEBI:64227; U-63287; 5-(4-((1-methylcyclohexyl)methoxy)benzyl)thiazolidine-2,4-dione; (+-)-5-(p-((1-Methylcyclohexyl)methoxy)benzyl)-2,4-thiazolidinedione; C18H23NO3S; YZFWTZACSRHJQD-UHFFFAOYSA-N; (+/-)-5-[4-(1-Methylcyclohexylmethoxy)benzyl]thiazolidine-2,4-dione; 5-{4-[(1-methylcyclohexyl)methoxy]benzyl}-1,3-thiazolidine-2,4-dione; U 63287; NCGC00164446-01; DSSTox_CID_20757; DSSTox_RID_79589; DSSTox_GSID_40757; 5-[[4-[(1-Methylcyclohexyl)methoxy]phenyl]methyl]-2,4-thiazolidinedione; 2,4-Thiazolidinedione, 5-((4-((1-methylcyclohexyl)methoxy)phenyl)methyl)-, (+-)-; CAS-74772-77-3; SR-01000597400; 2,4-Thiazolidinedione, 5-((4-((1-methylcyclohexyl)methoxy)phenyl)methyl)-; 2,4-Thiazolidinedione, 5-[[4-[(1-methylcyclohexyl)methoxy]phenyl]methyl]-; MFCD00865499; ACMC-20emv7; Spectrum5_001949; Ciglitazone (USAN/INN); UPCMLD-DP145; CBiol_001858; SCHEMBL38185; BSPBio_001575; KBioGR_000295; KBioSS_000295; BML2-F01; GTPL2711; DTXSID0040757; UPCMLD-DP145:001; UPCMLD-DP145:002; BCBcMAP01_000122; Ciglitizone, >=98% (HPLC); CTK7H5565; KBio2_000295; KBio2_002863; KBio2_005431; KBio3_000589; KBio3_000590; Bio1_000144; Bio1_000633; Bio1_001122; Bio2_000295; Bio2_000775; HMS1361O17; HMS1791O17; HMS1989O17; HMS3267N05; HMS3402O17; HMS3412E22; HMS3649G06; HMS3676E22; 5-(4-(1-methylcyclohexylmethoxy)benzyl)thiazolidine-2,4-dione; Tox21 112120; Tox21_112120; BDBM50103636; GL8018; AKOS000278268; AKOS024257650; Tox21_112120_1; API0002009; DB09201; MCULE-4419123362; TRA0078629; 5-[[4-[(1-methylcyclohexyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione; IDI1_034045; KS-0000008X; NCGC00025104-02; NCGC00025104-03; NCGC00025104-04; NCGC00025104-05; NCGC00025104-07; NCGC00025104-08; NCGC00025104-09; AS-56269; CC-25778; SC-50312; ST079285; ZINC000001481754; DB-055908; LS-151334; TX-017480; FT-0602959; Z3112; D03493; C-20127; Q5119890; SR-01000597400-1; SR-01000597400-3; SR-01000597400-4; BRD-A93000692-001-02-4; BRD-A93000692-001-03-2; 5-[4-(1-methylcyclohexylmethyloxy)benzyl]thiazolidine-2,4-dione; 5-((4-((1-methylcyclohexyl)methoxy)phenyl)methyl)-4-thiazolidinedione; 5-({4-[(methylcyclohexyl)methoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione; LO4",
"trade_name": "",
"abbrev_name": "",
"description": "prototypical compound for the thiazolidinedione class; PPARgamma ligand; anti-hyperglycemic",
"molecular_formula": "C18H23NO3S",
"molecular_weight": "333.4",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "2750",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F01",
"F010401",
"F0108",
"F02010202",
"F02040101",
"F02110302"
],
"references": [
"RC00550",
"RC00551",
"RC00558",
"RC00559",
"RC01855",
"RC02476",
"RC03097",
"RC04965",
"RC04969",
"RC04974"
]
},
{
"compound_ID": "D0027",
"name": "Cinnarizine",
"synonyms": "1-(diphenylmethyl)-4-(3-phenylprop-2-enyl)piperazine; 1-Cinnamyl-4-diphenylmethylpiperazine; Prestwick0_000278; Prestwick1_000278; 1-(Diphenylmethyl)-4-(3-phenyl-2-propen-1-yl)piperazine; Oprea1_696883; SPBio_002375; CTK4D2521; HMS3372L16; KS-000048IA; DB00568; MCULE-5586055809; DB-047662; C3459; FT-0623849; FT-0665054; Q27224950; 1-(diphenylmethyl)-4-(3-phenyl-2-propenyl) piperazine; Piperazine,1-(diphenylmethyl)-4-[(2E)-3-phenyl-2-propen-1-yl]-",
"trade_name": "",
"abbrev_name": "",
"description": "anti-histaminic; specific calcium channel blocker in central vestibular system",
"molecular_formula": "C26H28N2",
"molecular_weight": "368.5",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "2761",
"classification": "N",
"indications": "",
"side_effects": "",
"atc_codes": "N07CA52; N07CA02",
"group": "Drug",
"drug_type": "",
"target": [
"T001"
],
"function": [
"F020103"
],
"references": [
"RC01398"
]
},
{
"compound_ID": "D0028",
"name": "Ciprofibrate",
"synonyms": "Ciprofibrate; 52214-84-3; Lipanor; 2-(4-(2,2-dichlorocyclopropyl)phenoxy)-2-methylpropanoic acid; Ciprofibratum; Ciprofibrato; Modalim; 2-[4-(2,2-Dichlorocyclopropyl)phenoxy]-2-methylpropanoic acid; Win-35833; Ciprofibratum [INN-Latin]; Ciprofibrato [INN-Spanish]; WIN 35833; CCRIS 173; C13H14Cl2O3; EINECS 257-744-6; Propanoic acid, 2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methyl-; BRN 1984981; 2-(4-(2,2-Dichlorocyclopropyl)phenoxy)2-methylpropanoic acid; 2-(p-(2,2-Dichlorocyclopropyl)phenoxy)-2-methylpropionic acid; CHEBI:50867; KPSRODZRAIWAKH-UHFFFAOYSA-N; NCGC00164447-01; AK-77509; 2-[p-(2,2-Dichlorocyclopropyl)phenoxy]-2-methylpropanoic acid; 2-{[4-(2,2-dichlorocyclopropyl)phenyl]oxy}-2-methylpropanoic acid; DSSTox_CID_331; Propanoic acid, 2-(4-(2,2-dichlorocyclopropyl)phenoxy)-2-methyl-; DSSTox_RID_75519; DSSTox_GSID_20331; Hiperlipen; Ciprol; 2-{4-[2,2-dichlorocyclopropyl]phenoxy}-2-methylpropanoic acid; SMR000857190; Ciprofibrate [USAN:BAN:INN]; Win 35,833; SR-01000075734; Ciprofibrate (USAN/INN); 2-[p-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropionic acid; Ciprofibrate?; Ciprofibrate [USAN:INN:BAN]; CAS-52214-84-3; Prestwick0_001076; Prestwick1_001076; Prestwick2_001076; Prestwick3_001076; C 0330; Lopac0_000168; SCHEMBL26870; BSPBio_001092; MLS002154143; MLS006011758; Win35833; SPBio_002996; 2-[4-(2,2-dichlorocyclopropyl)phenoxy]isobutyric acid; BPBio1_001202; CHEMBL557555; GTPL3438; DTXSID8020331; CTK7I5107; KS-00000FXC; AOB6803; BCPP000277; HMS1571G14; HMS2098G14; HMS2235J14; HMS3260B17; HMS3369B22; HMS3656P09; HMS3715G14; Pharmakon1600-01502008; BCP03728; EBD38709; HY-B0664; Tox21_112121; Tox21_201359; Tox21_302840; Tox21_500168; ANW-46062; BBL010821; BDBM50371235; BG0457; MFCD00467135; NSC759617; s2665; STK624758; AKOS005557843; Tox21_112121_1; AC-1018; API0002026; BCP9000533; CCG-204263; CS-2898; KS-1201; LP00168; LS-7279; MCULE-8060052925; NSC-759617; NCGC00015202-02; NCGC00015202-03; NCGC00015202-04; NCGC00015202-05; NCGC00015202-06; NCGC00015202-08; NCGC00093652-01; NCGC00093652-02; NCGC00256361-01; NCGC00258911-01; NCGC00260853-01; 4CA-0385; CC-25814; BCP0726000148; AB0010540; AB2000704; AX8121411; RT-004891; AB00514032; EU-0100168; FT-0602946; ST24027521; SW197242-4; D03521; AB00514032_06; 214C843; A828985; C-18160; J-520054; Q3496452; SR-01000075734-1; SR-01000075734-4; SR-01000075734-7; BRD-A49358627-001-03-9; BRD-A49358627-001-10-4; 2-[4-(2,2-Dichlorocyclopropyl)phenoxy]-2-methylpropionic Acid; Ciprofibrate, European Pharmacopoeia (EP) Reference Standard; Propionic acid, 2-(4-(2,2-dichlorocyclopropyl)phenoxy)-2-methyl-; 2-[4-[2,2-bis(chloranyl)cyclopropyl]phenoxy]-2-methyl-propanoic acid; Ciprofibrate for system suitability, European Pharmacopoeia (EP) Reference Standard",
"trade_name": "",
"abbrev_name": "",
"description": "fibrate; lipid-lowering agent",
"molecular_formula": "C13H14Cl2O3",
"molecular_weight": "289.15",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "2763",
"classification": "C",
"indications": "",
"side_effects": "",
"atc_codes": "C10AB08",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0029",
"name": "Cisplatin",
"synonyms": "cis-Diaminedichloroplatinum; cis-Diamminedichlorplatine; cis-Dichlorodiamine platinum; Platinum, diamminedichloro-; NCGC00090759-01; DSSTox_CID_4983; DSSTox_RID_77611; DSSTox_GSID_24983; CAS-15663-27-1; trans-Diaminedichloroplatinum; cisplatin complex; cis-Platinum(II); Pt(II) Complex; dichloroplatinumdiamine; Platinum(IV) Complex; Platinum (II) complex; Neuro_000055; cis-Platinum diamminedichloride; DTXSID4024983; cis-Diammine-dichloroplatinum(II); HMS3268F06; HMS3654E14; Tox21_111011; Tox21_113470; Tox21_202500; BDBM50028111; NSC131558; NSC241517; camphorato platinum complex derivative; AKOS025401526; Cisplatin(cis-Diammenedichloroplatinum); Tox21_111011_1; AC-2109; BCP9000536; CS-1122; DB00515; dichloromethanediamine(platinum complex); NSC-131558; NSC-241517; NCGC00090759-02; NCGC00090759-03; NCGC00260049-01; NCGC00263537-01; HY-17394; cis-diamminedichloroplatinum(II)(cis-DDP); trans-dichlorodiammineplatinum.(transplatin); FT-0082333; FT-0623946; SW222225-1; AB00642613-02; AB00642613_03; Replaced CAS registry number(s): 14283-03-5; BRD-K69172251-001-01-4",
"trade_name": "Platinol",
"abbrev_name": "",
"description": "Anticaner; platinum-based chemotherapy drug",
"molecular_formula": "Cl2H4N2Pt",
"molecular_weight": "298",
"state": "solid",
"clearance": "* 15-16 L/h/m^2 [total body clearance, 7-hour infusion of 100 mg/m^2] \n* 62 mL/min/m^2 [renal clearance, 2-hour infusion of 100 mg/m^2] \n* 50 mL/min/m^2 [renal clearance, 6- to 7-hour infusion of 100 mg/m^2] \nThe renal clearance of free (ultrafilterable) platinum also exceeds the glomerular filtration rate indicating that cisplatin or other platinum-containing molecules are actively secreted by the kidneys. The renal clearance of free platinum is nonlinear and variable and is dependent on dose, urine flow rate, and individual variability in the extent of active secretion and possible tubular reabsorption.",
"volume_of_distribution": "Volume of distribution at steady state = 11-12 L/m^2",
"route_of_elimination": "The parent compound, cisplatin, is excreted in the urine. Although small amounts of platinum are present in the bile and large intestine after administration of cisplatin, the fecal excretion of platinum appears to be insignificant.",
"protein_binding": "Cisplatin does not undergo instantaneous and reversible binding to plasma protein that is characteristic of normal drug-protein binding. However, the platinum itself is capable of binding to plasma proteins, including albumin, transferrin, and gamma globulin. Three hours after a bolus injection and two hours after the end of a three-hour infusion, 90% of the plasma platinum is protein bound.",
"half_life": "Cisplatin decays monoexponentially with a half life of 20 to 30 minutes following administrations of 50 or 100 mg/m^2. Cisplatin has a plasma half-life of 30 minutes. The complexes between albumin and the platinum from cisplatin do not dissociate to a significant extent and are slowly eliminated with a minimum half-life of five days or more.",
"absorption": "Following cisplatin doses of 20 to 120 mg/m^2, the concentrations of platinum are highest in liver, prostate, and kidney; somewhat lower in bladder, muscle, testicle, pancreas, and spleen; and lowest in bowel, adrenal, heart, lung, cerebrum, and cerebellum. Platinum is present in tissues for as long as 180 days after the last administration.",
"cid": "2767",
"classification": "L",
"indications": "Adrenal gland cancer; Anal cancer; Bladder transitional cell carcinoma; Brain neoplasm malignant; Breast cancer; Cervix carcinoma; Choriocarcinoma; Endometrial cancer; Gestational trophoblastic tumour; Hepatic cancer; Hodgkin's disease; Hodgkin's disease lymphocyte depletion type stage unspecified; Hodgkin's disease lymphocyte predominance type stage unspecified; Hypocalcaemia; Hypomagnesaemia; Lung neoplasm malignant; Lymphoma; Malignant melanoma; Mesothelioma; Neoplasm; Neutropenia; Non-Hodgkin's lymphoma; Oesophageal carcinoma; Osteosarcoma; Ovarian neoplasm; Penile cancer; Prostate cancer; Renal cancer; Renal failure; Renal impairment; Sarcoma; Squamous cell carcinoma; Testicular neoplasm",
"side_effects": "Ototoxicity (0.31); Tinnitus (0.09)",
"atc_codes": "L01XA01",
"group": "Drug",
"drug_type": "",
"target": [
"T387"
],
"function": [
"F01",
"F0104",
"F02010205",
"F020403",
"F0306",
"F0308",
"F0504",
"F060105",
"F0605",
"F0701"
],
"references": [
"RC03636",
"RC03701",
"RC03922",
"RC03925",
"RC03927",
"RC03929",
"RC03994",
"RC03996",
"RC04735",
"RC04737",
"RC04739",
"RC04920"
]
},
{
"compound_ID": "D0030",
"name": "Clofibrate",
"synonyms": "clofibrate; 637-07-0; Ethyl clofibrate; Clofibrato; Clofibratum; Ethyl 2-(4-chlorophenoxy)-2-methylpropanoate; Atromid-S; Miscleron; Atromid; Liprin; EPIB; Angiokapsul; Antilipid; Antilipide; Arterioflexin; Arterosol; Ateriosan; Athebrate; Atheromide; Atheropront; Chlorphenisate; Clofibate; Lipofacton; Ticlobran; Amotril; Anparton; Ateculon; Atrolen; Atromida; Lipavil; Lipavlon; Lipomid; Liprinal; Xyduril; Apolan; Amotril S; Ethyl chlorophenoxyisobutyrate; Athranid-wirkstoff; Atromidin; Bioscleran; Cartagyl; Citiflus; Claripex; Clofibram; Clofibrat; Clofinit; Clofipront; Fibralem; Gerastop; Hyclorate; Klofibrat; Klofiran; Levatrom; Lipidsenker; Liponorm; Liporeduct; Lobetrin; Normalip; Persantinat; Regardin; Serotinex; Skleromexe; Atrovis; Azionyl; Bresit; Clobrat; Clofar; Delipid; Deliva; Lipamid; Liporil; Liposid; Normat; Regelan; Sklero; Dura clofibrat; Sklero-Tablinen; neo-Atomid; Neo-Atromid; Atromid S; Claripex CPIB; Clobren-SF; CPIB; ELPI; Cinnarizin; Cloberat; Misclerone; Normolipol; Robigram; Skerolip; Artevil; Negalip; Normet; Recolip; Scrobin; Yoclo; Sklero-tabuls; Regelan N; 2-(4-Chlorophenoxy)-2-methylpropanoic acid ethyl ester; Lipide 500; Chlorfenisate; Oxan 600; Artes; Ethyl 2-(p-chlorophenoxy)isobutyrate; 2-(p-Chlorophenoxy)-2-methylpropionic acid ethyl ester; Ethyl para-chlorophenoxyisobutyrate; Ethyl 2-(4-chlorophenoxy)-2-methylpropionate; Clofibrato [Spanish]; Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, ethyl ester; NSC-79389; Ethyl p-chlorophenoxyisobutyrate; Clofibratum [INN-Latin]; Clofibrato [INN-Spanish]; AY 61123; AY-61123; alpha-p-Chlorophenoxyisobutyryl ethyl ester; ICI 28257; Ethyl 2-(4-chlorophenoxy)isobutyrate; Abitrate; alpha-(p-Chlorophenoxy)isobutyric acid, ethyl ester; UNII-HPN91K7FU3; Ethyl 2-(p-chlorophenoxy)-2-methylpropionate; C12H15ClO3; CCRIS 177; Ethyl-alpha-p-chlorophenoxy-isobutyrate; Ethyl alpha-(4-chlorophenoxy)isobutyrate; Ethyl alpha-(p-chlorophenoxy)isobutyrate; HSDB 3038; 19 more names available; EINECS 211-277-4; ICI-28257; NSC 79389; CHEMBL565; BRN 1913459; HPN91K7FU3; Acetic acid, (p-chlorophenoxy)dimethyl-, ethyl ester; CHEBI:3750; Propanoic acid, 2-(p-chlorophenoxy)-2-methyl-, ethyl ester; Propionic acid, 2-(4-chlorophenoxy)-2-methyl-, ethyl ester; Propionic acid, 2-(p-chlorophenoxy)-2-methyl-, ethyl ester; .alpha.-p-Chlorophenoxyisobutyryl ethyl ester; KNHUKKLJHYUCFP-UHFFFAOYSA-N; NSC79389; Ethyl alpha-(4-chlorophenoxy)-alpha-methylpropionate; Ethyl alpha-(p-Chlorophenoxy)-alpha-methylpropionate; .alpha.-(p-Chlorophenoxy)isobutyric acid, ethyl ester; Isobutyric acid, alpha-(p-chlorophenoxy)-, ethyl ester; Ethyl 2-(para-chlorophenoxy)-2-methylpropionate (IUPAC); NCGC00015257-08; Sklerepmexe; Miskleron; Serofinex; Sklerolip; Skleromex; Ethyl .alpha.-(4-chlorophenoxy)isobutyrate; Ethyl .alpha.-(p-chlorophenoxy)isobutyrate; DSSTox_CID_336; Sklero-tablinene; 2-(4-Chlorophenoxy)isobutyric Acid Ethyl Ester; Clobren-5F; DSSTox_RID_75521; Vincamin compositum; DSSTox_GSID_20336; ethyl 2-[(4-chlorophenyl)oxy]-2-methylpropanoate; Ethyl .alpha.-(p-chlorophenoxy)-.alpha.-methylpropionate; Ethyl .alpha.-(4-chlorophenoxy)-.alpha.-methylpropionate; Clofibric Acid, Ethyl Ester; CAS-637-07-0; SMR000058279; clofibrate (CLOF); Clofibrate [USAN:INN:BAN:JAN]; SR-01000075544; ATROMID-S (TN); BML2-F02; Clofibrate liquid; Clobren SF; Clofibrate, liquid; Ethyl alpha-p-chlorophenoxyisobutyrate; Clofibrate [USAN:USP:INN:BAN:JAN]; Clofibrate(Atromid-S); Spectrum_001735; p-Chlorophenoxyisobutyric acid ethyl ester; Spectrum2_001209; Spectrum4_000223; Spectrum5_001133; Lopac-C-6643; UPCMLD-DP019; C 6643; ethyl 2-(4-chlorophenoxy)-2-methyl-propanoate; SCHEMBL2356; NCIOpen2_004739; BIDD:PXR0178; CBiol_001860; Lopac0_000306; BSPBio_001577; KBioGR_000297; KBioGR_000885; KBioSS_000297; KBioSS_002215; KSC492E2B; MLS001336011; MLS001336012; MLS002153494; BIDD:GT0172; DivK1c_000822; DivK1c_000926; SPBio_000998; Clofibrate (JP17/USP/INN); GTPL2667; 2-(4-Chlorophenoxy)-2-methylpropionic acid ethyl ester; DTXSID3020336; UPCMLD-DP019:001; BCBcMAP01_000104; CTK3J2220; HMS502J04; HMS502O08; KBio1_000822; KBio1_000926; KBio2_000297; KBio2_002215; KBio2_002865; KBio2_004783; KBio2_005433; KBio2_007351; KBio3_000593; KBio3_000594; WLN: GR DOX1&1&VO2; ZINC56648; Clofibrate, >=98.0% (GC); NINDS_000822; NINDS_000926; Bio1_000146; Bio1_000635; Bio1_001124; Bio2_000297; Bio2_000777; HMS1361O19; HMS1791O19; HMS1989O19; HMS2089P03; HMS2093G07; HMS2233C17; HMS3260N14; HMS3373C06; HMS3402O19; HMS3715J03; Pharmakon1600-01503429; EBD52899; HY-B0287; ZX-AT020414; Tox21_110116; Tox21_202414; Tox21_300277; Tox21_500306; ANW-42230; BDBM50085047; BG0148; CCG-40281; MFCD00000615; NSC758474; SBB099633; AKOS015889383; Tox21_110116_1; API0025998; CS-2300; DB00636; LP00306; LS-7282; MCULE-9236719628; NE29896; NSC-758474; OR26850; RTR-021904; IDI1_000822; IDI1_000926; IDI1_034047; KS-00000X36; Clofibrate, analytical reference material; NCGC00015257-01; NCGC00015257-02; NCGC00015257-03; NCGC00015257-04; NCGC00015257-05; NCGC00015257-06; NCGC00015257-07; NCGC00015257-09; NCGC00015257-10; NCGC00015257-11; NCGC00015257-12; NCGC00015257-14; NCGC00093755-01; NCGC00093755-03; NCGC00093755-04; NCGC00093755-05; NCGC00093755-06; NCGC00093755-07; NCGC00093755-08; NCGC00254073-01; NCGC00259963-01; NCGC00260991-01; AS-14127; CC-05772; K009; NCI60_041748; Ethyl .alpha.-p-(chlorophenoxy)isobutyrate; SBI-0050294.P003; AB0013973; AB2000309; DB-054528; TR-021904; AK01050740; EU-0100306; FT-0625865; ST50319977; 2-(p-Chlorophenoxy)isobutyric acid ethyl ester; C06916; D00279; EN300-119182; AB00052358-07; AB00052358-08; AB00052358_09; AB00052358_10; Ethyl 2-(4-chlorophenoxy)-2-methylpropanoate #; A834483; C-14662; ethyl 2-(4-chloranylphenoxy)-2-methyl-propanoate; Acetic acid, (p-chlorophenoxy)dimethyl-, ethyl este; Ethyl 2-(4-chlorophenoxy)-2-methylpropionate, 99%; Q2701912; SR-01000075544-1; SR-01000075544-4; SR-01000075544-5; SR-01000075544-8; Z53835984; 2-(p-chlorophenoxy)-2-methylPropanoic acid ethyl ester; 2-(p-chlorophenoxy)-2-methylpropionic acid ethyl ester;; 2-(4-Chloro-phenoxy)-2-methyl-propionic acid ethyl ester; Clofibrate, European Pharmacopoeia (EP) Reference Standard; Isobutyric acid, .alpha.-(p-chlorophenoxy)-, ethyl ester; Clofibrate, United States Pharmacopeia (USP) Reference Standard",
"trade_name": "",
"abbrev_name": "",
"description": "fibrates; lipid-lowering agent; increases lipoprotein lipase activity",
"molecular_formula": "C12H15ClO3",
"molecular_weight": "242.7",
"state": "liquid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "Highly protein-bound (95% to 97%).",
"half_life": "Half-life in normal volunteers averages 18 to 22 hours (range 14 to 35 hours) but can vary by up to 7 hours in the same subject at different times.",
"absorption": "Completely but slowly absorbed from the intestine. Between 95% and 99% of an oral dose of clofibrate is excreted in the urine as free and conjugated clofibric acid; thus, the absorption of clofibrate is virtually complete.",
"cid": "2796",
"classification": "C",
"indications": "",
"side_effects": "",
"atc_codes": "C10AB01",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F05"
],
"references": [
"RC03445"
]
},
{
"compound_ID": "D0031",
"name": "Clozapine",
"synonyms": "Clozapine",
"trade_name": "",
"abbrev_name": "",
"description": "tricyclic dibenzodiazepine; atypical antipsychotic agent; serotonin antagonist",
"molecular_formula": "C18H19ClN4",
"molecular_weight": "326.8",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "Approximately 50% of the administered dose is excreted in the urine and 30% in the feces.",
"protein_binding": "97% (bound to serum proteins)",
"half_life": "8 hours (range 4-12 hours)",
"absorption": "Rapid and almost complete",
"cid": "135398737",
"classification": "N",
"indications": "Agranulocytosis; Cardiac arrest; Cardiovascular disorder; Completed suicide; Diarrhoea; Epilepsy; Headache; Hyperglycaemia; Leukopenia; Myocarditis; Myoclonus; Nausea; Neutropenia; Psychotic disorder; Schizoaffective disorder; Schizophrenia; Suicidal behaviour; Tardive dyskinesia; Vomiting",
"side_effects": "Abdominal discomfort (0.04); White blood cell count decreased (0.03); Agitation; Asthenia; Body temperature increased; Constipation; Dizziness; Dry mouth; Dyspepsia; Headache; Hypertension; Hypotension; Insomnia; Nausea; Pain; Salivary hypersecretion; Somnolence; Tachycardia; Vertigo; Vomiting; Weight increased",
"atc_codes": "N05AH02",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T081",
"T100"
],
"function": [
"F0101",
"F02010202",
"F020103",
"F02040101",
"F0303",
"F0306"
],
"references": [
"RC00534",
"RC00535",
"RC00901",
"RC03621",
"RC03622",
"RC04741",
"RC04742",
"RC04743",
"RC04744",
"RC04745"
]
},
{
"compound_ID": "D0032",
"name": "Copper",
"synonyms": "Copper; 7440-50-8; cuprum; cobre; cuivre; Copper bronze; Kupfer; Copper-airborne; Blister copper; Cathode copper; Rame; Anode copper; Arwood copper; Bronze powder; Copper dust; Copper powder; Copper-milled; Gold bronze; Kafar copper; Raney copper; Copper, elemental; Cuprum [Latin]; Copper precipitates; Copper slag-milled; Copper metal powder; Copper slag-airborne; CDX (metal); Copper M 1; copper(3+); CI Pigment metal 2; Allbri Natural Copper; OFHC Cu; M1 (Copper); M2 (Copper); M3 (Copper); M4 (Copper); Caswell No. 227; Cu; CE 7 (metal); Copper, metallic powder; Copper turnings; Cutox 6010; Cutox 6030; C.I. Pigment Metal 2; C 100 (metal); E 115 (metal); Copper, fume; 1721 Gold; Pigment metal 2; Copper fulleride (CuC20); CU M3; copper(0); ANAC 110; CCRIS 1577; HSDB 1622; CDA 101; CDA 102; CDA 110; CDA 122; UNII-789U1901C5; Electrolytic refinery billet copper; Copper, dusts and mists; Electrolytic refinery wirebar copper; EINECS 231-159-6; 29Cu; EPA Pesticide Chemical Code 022501; CE 1110; CI 77400; C.I. 77400; CHEBI:28694; MFCD00010965; Copper, ACS reagent; 789U1901C5; Copper, 99+%, turnings; Tatum-T; M3R; Paragard T 380a; Microheterogeneitycopper (Ii) Ion; Cuprum metallicum; Cu-7; Paragard t380a; Copper, 99.9%, (trace metal basis), shot 1-10 mm; Copper, 99%, powder, max. 106 microm (-140 mesh); Pure copper, ERM(R) certified Reference Material, disc; Copper, foil, thickness 0.025 mm, length 1 m, purity 99.9%; Copper, foil, thickness 0.025 mm, length 2 m, purity 99.9%; Copper, foil, thickness 0.025 mm, length 5 m, purity 99.9%; Copper, foil, thickness 0.038 mm, length 1 m, purity 99.9%; Copper, foil, thickness 0.038 mm, length 2 m, purity 99.9%; Copper, foil, thickness 0.038 mm, length 5 m, purity 99.9%; Copper, foil, thickness 0.05 mm, length 1 m, purity 99.9%; Copper, foil, thickness 0.05 mm, length 10 m, purity 99.9%; Copper, foil, thickness 0.05 mm, length 2 m, purity 99.9%; Copper, foil, thickness 0.05 mm, length 20 m, purity 99.9%; Copper, foil, thickness 0.05 mm, length 5 m, purity 99.9%; Copper, foil, thickness 0.075 mm, length 1 m, purity 99.9%; Copper, foil, thickness 0.075 mm, length 2 m, purity 99.9%; Copper, foil, thickness 0.075 mm, length 5 m, purity 99.9%; Copper, foil, thickness 0.1 mm, 4 mm diameter, purity 99.9%; Copper, foil, thickness 0.1 mm, 6 mm diameter, purity 99.9%; Copper, foil, thickness 0.1 mm, 8 mm diameter, purity 99.9%; Copper, foil, thickness 0.1 mm, length 1 m, purity 99.9%; Copper, foil, thickness 0.1 mm, length 10 m, purity 99.9%; Copper, foil, thickness 0.1 mm, length 2 m, purity 99.9%; Copper, foil, thickness 0.1 mm, length 5 m, purity 99.9%; Copper, foil, thickness 0.125 mm, length 1 m, purity 99.9%; Copper, foil, thickness 0.125 mm, length 2 m, purity 99.9%; Copper, foil, thickness 0.125 mm, length 5 m, purity 99.9%; Copper, foil, thickness 0.15 mm, length 1 m, purity 99.9%; Copper, foil, thickness 0.15 mm, length 10 m, purity 99.9%; Copper, foil, thickness 0.15 mm, length 2 m, purity 99.9%; Copper, foil, thickness 0.15 mm, length 20 m, purity 99.9%; Copper, foil, thickness 0.15 mm, length 5 m, purity 99.9%; Copper, foil, thickness 0.25 mm, length 1 m, purity 99.9%; Copper, foil, thickness 0.25 mm, length 10 m, purity 99.9%; Copper, foil, thickness 0.25 mm, length 2 m, purity 99.9%; Copper, foil, thickness 0.25 mm, length 5 m, purity 99.9%; Copper, foil, thickness 0.3 mm, 4 mm diameter, purity 99.9%; Copper, foil, thickness 0.3 mm, 6 mm diameter, purity 99.9%; copper atom; Sponge copper; Copper chip; Copper standard solution, for AAS, 1 mg-ml Cu in 2 to 5% HNO3; Copper, foil, thickness 0.025 mm, 10 mm diameter, purity 99.9%; Copper, foil, thickness 0.025 mm, 4 mm diameter, purity 99.9%; Copper, foil, thickness 0.025 mm, 6 mm diameter, purity 99.9%; Copper, foil, thickness 0.025 mm, 8 mm diameter, purity 99.9%; Copper, foil, thickness 0.025 mm, diameter 15 mm, purity 99.9%; Copper, foil, thickness 0.025 mm, length 10 m, purity 99.9%; Copper, foil, thickness 0.025 mm, length 20 m, purity 99.9%; Copper, foil, thickness 0.038 mm, 8 mm diameter, purity 99.9%; Copper, foil, thickness 0.038 mm, diameter 25 mm, purity 99.9%; Copper, foil, thickness 0.038 mm, length 10 m, purity 99.9%; Copper, foil, thickness 0.038 mm, length 20 m, purity 99.9%; Copper, foil, thickness 0.05 mm, 50 mm diameter, purity 99.9%; Copper, foil, thickness 0.05 mm, 6 mm diameter, purity 99.9%; Copper, foil, thickness 0.05 mm, size 25 x 25 mm, purity 99.9%; Copper, foil, thickness 0.05 mm, size 50 x 50 mm, purity 99.9%; Copper, foil, thickness 0.075 mm, 15 mm diameter, purity 99.9%; Copper, foil, thickness 0.075 mm, 4 mm diameter, purity 99.9%; Copper, foil, thickness 0.075 mm, 50 mm diameter, purity 99.9%; Copper, foil, thickness 0.075 mm, 6 mm diameter, purity 99.9%; Copper, foil, thickness 0.075 mm, 8 mm diameter, purity 99.9%; Copper, foil, thickness 0.075 mm, diameter 10 mm, purity 99.9%; Copper, foil, thickness 0.075 mm, diameter 25 mm, purity 99.9%; Copper, foil, thickness 0.075 mm, diameter 8 mm, purity 99.9%; Copper, foil, thickness 0.075 mm, length 10 m, purity 99.9%; Copper, foil, thickness 0.075 mm, length 20 m, purity 99.9%; Copper, foil, thickness 0.075 mm, length 50 m, purity 99.9%; Copper, foil, thickness 0.1 mm, 15 mm diameter, purity 99.9%; Copper, foil, thickness 0.1 mm, size 25 x 25 mm, purity 99.9%; Copper, foil, thickness 0.1 mm, size 50 x 50 mm, purity 99.9%; Copper, foil, thickness 0.125 mm, 10 mm diameter, purity 99.9%; Copper, foil, thickness 0.125 mm, 25 mm diameter, purity 99.9%; Copper, foil, thickness 0.125 mm, 4 mm diameter, purity 99.9%; Copper, foil, thickness 0.125 mm, 50 mm diameter, purity 99.9%; Copper, foil, thickness 0.125 mm, 6 mm diameter, purity 99.9%; Copper, foil, thickness 0.125 mm, 8 mm diameter, purity 99.9%; Copper, foil, thickness 0.125 mm, length 10 m, purity 99.9%; Copper, foil, thickness 0.125 mm, length 20 m, purity 99.9%; Copper, foil, thickness 0.15 mm, 10 mm diameter, purity 99.9%; Copper, foil, thickness 0.15 mm, 15 mm diameter, purity 99.9%; Copper, foil, thickness 0.15 mm, 25 mm diameter, purity 99.9%; Copper, foil, thickness 0.15 mm, 4 mm diameter, purity 99.9%; Copper, foil, thickness 0.15 mm, 50 mm diameter, purity 99.9%; Copper, foil, thickness 0.15 mm, 6 mm diameter, purity 99.9%; Copper, foil, thickness 0.15 mm, diameter 8 mm, purity 99.9%; Copper, foil, thickness 0.15 mm, size 25 x 25 mm, purity 99.9%; Copper, foil, thickness 0.15 mm, size 50 x 50 mm, purity 99.9%; Copper, foil, thickness 0.25 mm, 10 mm diameter, purity 99.9%; Copper, foil, thickness 0.25 mm, 4 mm diameter, purity 99.9%; Copper, foil, thickness 0.25 mm, 8 mm diameter, purity 99.9%; Copper, foil, thickness 0.25 mm, diameter 15 mm, purity 99.9%; Copper, foil, thickness 0.25 mm, diameter 50 mm, purity 99.9%; Copper, foil, thickness 0.25 mm, length 0.5 m, purity 99.9%; Copper, foil, thickness 0.25 mm, size 25 x 25 mm, purity 99.9%; Copper, foil, thickness 0.25 mm, size 50 x 50 mm, purity 99.9%; Copper, foil, thickness 0.3 mm, 10 mm diameter, purity 99.9%; Copper, foil, thickness 0.3 mm, 15 mm diameter, purity 99.9%; Copper, foil, thickness 0.3 mm, 25 mm diameter, purity 99.9%; Copper, foil, thickness 0.3 mm, size 25 x 25 mm, purity 99.9%; Copper, foil, thickness 0.3 mm, size 50 x 50 mm, purity 99.9%; Copper, foil, thickness 1.0 mm, size 50 x 50 mm, purity 99.9%; Copper, foil, thickness 2.0 mm, size 50 x 50 mm, purity 99.9%; Copper granulated; Copper - O.F.H.C., foil, 0.5m coil, thickness 0.05mm, hard, 99.95+%; Copper - O.F.H.C., foil, 0.5m coil, thickness 0.1mm, hard, 99.95+%; Copper - O.F.H.C., foil, 10m coil, thickness 0.05mm, hard, 99.95+%; Copper - O.F.H.C., foil, 10m coil, thickness 0.1mm, hard, 99.95+%; Copper - O.F.H.C., foil, 1m coil, thickness 0.05mm, hard, 99.95+%; Copper - O.F.H.C., foil, 1m coil, thickness 0.1mm, hard, 99.95+%; Copper - O.F.H.C., foil, 2m coil, thickness 0.05mm, hard, 99.95+%; Copper - O.F.H.C., foil, 2m coil, thickness 0.1mm, hard, 99.95+%; Copper - O.F.H.C., foil, 5m coil, thickness 0.05mm, hard, 99.95+%; Copper - O.F.H.C., foil, 5m coil, thickness 0.1mm, hard, 99.95+%; Copper, foam, thickness 10 mm, size 50 x 64 mm, bulk density 3.32 g/cm3; Copper, foam, thickness 4 mm, 23 mm diameter, bulk density 3.32 g/cm3; Copper, foil, thickness 0.006 mm, size 50 x 50 mm, purity 99.97%; Copper, foil, thickness 0.007 mm, size 50 x 50 mm, purity 99.97%; Copper, foil, thickness 0.009 mm, size 50 x 50 mm, purity 99.97%; Copper, foil, thickness 0.01 mm, 10 mm diameter, high purity 99.99+%; Copper, foil, thickness 0.01 mm, 15 mm diameter, high purity 99.99+%; Copper, foil, thickness 0.01 mm, 4 mm diameter, high purity 99.99+%; Copper, foil, thickness 0.01 mm, diameter 50 mm, high purity 99.99+%; Copper, foil, thickness 0.01 mm, diameter 6 mm, high purity 99.99+%; Copper, foil, thickness 0.01 mm, size 150 x 150 mm, purity 99.9%; Copper, foil, thickness 0.01 mm, size 25 x 25 mm, high purity 99.99+%; Copper, foil, thickness 0.01 mm, size 50 x 50 mm, high purity 99.99+%; Copper, foil, thickness 0.0125 mm, size 100 x 100 mm, purity 99.9%; Copper, foil, thickness 0.0125 mm, size 150 x 150 mm, purity 99.9%; Copper, foil, thickness 0.0125 mm, size 25 x 25 mm, purity 99.9%; Copper, foil, thickness 0.0125 mm, size 50 x 50 mm, purity 99.9%; Copper, foil, thickness 0.015 mm, size 100 x 100 mm, purity 99.97%; Copper, foil, thickness 0.025 mm, size 100 x 100 mm, purity 99.9%; Copper, foil, thickness 0.025 mm, size 150 x 150 mm, purity 99.9%; Copper, foil, thickness 0.025 mm, size 25 x 25 mm, purity 99.9%; Copper, foil, thickness 0.025 mm, size 50 x 50 mm, purity 99.9%; Copper, foil, thickness 0.038 mm, size 100 x 100 mm, purity 99.9%; Copper, foil, thickness 0.038 mm, size 150 x 150 mm, purity 99.9%; Copper, foil, thickness 0.038 mm, size 25 x 25 mm, purity 99.9%; Copper, foil, thickness 0.038 mm, size 50 x 50 mm, purity 99.9%; Copper, foil, thickness 0.05 mm, size 100 x 100 mm, purity 99.9%; Copper, foil, thickness 0.05 mm, size 150 x 150 mm, purity 99.9%; Copper, foil, thickness 0.075 mm, size 100 x 100 mm, purity 99.9%; Copper, foil, thickness 0.075 mm, size 150 x 150 mm, purity 99.9%; Copper, foil, thickness 0.075 mm, size 25 x 25 mm, purity 99.9%; Copper, foil, thickness 0.075 mm, size 50 x 50 mm, purity 99.9%; Copper, foil, thickness 0.1 mm, size 100 x 100 mm, purity 99.9%; Copper, foil, thickness 0.1 mm, size 150 x 150 mm, purity 99.9%; Copper, foil, thickness 0.1 mm, size 300 x 300 mm, purity 99.9%; Copper, foil, thickness 0.125 mm, size 100 x 100 mm, purity 99.9%; Copper, foil, thickness 0.125 mm, size 150 x 150 mm, purity 99.9%; Copper, foil, thickness 0.125 mm, size 25 x 25 mm, purity 99.9%; Copper, foil, thickness 0.125 mm, size 50 x 50 mm, purity 99.9%; Copper, foil, thickness 0.15 mm, size 100 x 100 mm, purity 99.9%; Copper, foil, thickness 0.15 mm, size 150 x 150 mm, purity 99.9%; Copper, foil, thickness 0.15 mm, size 300 x 300 mm, purity 99.9%; Copper, foil, thickness 0.25 mm, size 100 x 100 mm, purity 99.9%; Copper, foil, thickness 0.25 mm, size 150 x 150 mm, purity 99.9%; Copper, foil, thickness 0.25 mm, size 300 x 300 mm, purity 99.9%; Copper, foil, thickness 0.3 mm, size 100 x 100 mm, purity 99.9%; Copper, foil, thickness 0.3 mm, size 150 x 150 mm, purity 99.9%; Copper, foil, thickness 0.3 mm, size 300 x 300 mm, purity 99.9%; Copper, foil, thickness 1.0 mm, size 100 x 100 mm, purity 99.9%; Electrolytic copper (trace elements), ERM(R) certified Reference Material; Copper, foil, thickness 0.0078 mm, size 50 x 50 mm, high purity 99.99+%; CU1; Electrolytic copper with added impurities (trace elements), ERM(R) certified Reference Material; Copper (0); Copper powder <75 um; ACMC-1BKZD; Copper powder 325 mesh; Copper, 99.8%; Epitope ID:114074; Copper shot, 3-14 mesh; EC 231-159-6; KSC178C4R; Cu(0); Copper, p.a., 99.0%; Copper powder, 5% in graphite; DTXSID2023985; CHEBI:29037; CHEBI:30052; CTK0H8148; Copper Ascorbate Blend 6% 40M; DTXSID50391571; RYGMFSIKBFXOCR-UHFFFAOYSA-N; Copper, powder, <75 mum, 99%; Unalloyed copper, NIST SRM 1034; Cu(I)-S-Mo(Iv)(o)o-Nbic Cluster; MFCD00239961; Sponge Copper, A-3B00, nonpromoted; AKOS015902737; Copper, SAJ first grade, >=99.5%; DB09130; LS-2178; RTR-024050; Copper, shot, -3-+14 mesh, 99%; KS-000000K8; TRA-0186876; NCGC00184571-01; AK550084; BP-20130; Refined copper, NIST(R) SRM(R) 885; SC-26891; Copper, purum p.a., >=99.0%, powder; Copper rod, 7mm (0.3in) dia, Puratronic; Copper, foil, >=99.8% (complexometric); Copper, turnings, purum p.a., >=99.0%; TR-024050; Unalloyed copper, NIST SRM 500, Cu VII; Copper, powder, >=99.5% (complexometric); Copper, rod, diam. 3.1 mm, 99.999%; Copper, wire, diam. 1.0 mm, >=99.9%; Copper, wire, diam. 1.0 mm, 99.999%; FT-0623273; X1068; Copper, foil, thickness 0.5 mm, 99.999%; Copper, powder, 99.999% trace metals basis; C00070; Copper powder +45 um particle size (2% max); Copper, granulated, >=99.8% (complexometric); Copper, nanopowder, 25 nm particle size (TEM); Copper, powder (spheroidal), 14-25 mum, 99%; Unalloyed copper, NIST SRM 399, Cu VI (chips); Unalloyed copper, NIST SRM 454, Cu XI (chips); Unalloyed copper, NIST SRM 494, Cu I (solid); Unalloyed copper, NIST SRM 499, Cu VI (solid); Unalloyed copper, NIST SRM 400, Cu VII (chips); Copper, nanowires, dispersion, 20 wt. % in ethanol; Copper, rod, 100mm, diameter 4.8mm, hard, 99.9%; Copper, rod, 100mm, diameter 9.5mm, hard, 99.9%; Copper, rod, 200mm, diameter 4.8mm, hard, 99.9%; Copper, rod, 200mm, diameter 9.5mm, hard, 99.9%; Copper, rod, 500mm, diameter 4.8mm, hard, 99.9%; Copper, rod, 500mm, diameter 9.5mm, hard, 99.9%; Q27104043; Copper (O), BCR(R) certified Reference Material, rod; Copper, beads, 2-8 mm, >=99.99% trace metals basis; Copper, beads, 2-8 mm, 99.9995% trace metals basis; Copper, plasma standard solution, Specpure, Cu 10g/ml; Copper, powder, +45 mum particle size (2% max), 99%; Copper, powder, <425 mum, 99.5% trace metals basis; Copper, rod, 1000mm, diameter 20.6mm, hard, 99.9%; Copper, rod, 1000mm, diameter 4.8mm, hard, 99.9%; Copper, rod, 1000mm, diameter 9.5mm, hard, 99.9%; Copper, rod, 100mm, diameter 20.6mm, hard, 99.9%; Copper, rod, 200mm, diameter 20.6mm, hard, 99.9%; Copper, rod, 500mm, diameter 20.6mm, hard, 99.9%; Unalloyed copper, NIST(R) SRM(R) 498, Cu V (solid); Copper (S, P), BCR(R) certified Reference Material, chips; Copper (S, P), BCR(R) certified Reference Material, disc; Copper foil, 0.025mm (0.001in) thick, annealed, coated; Copper, ACS reagent, granular, 10-40 mesh, >=99.90%; Copper, IRMM(R) certified Reference Material, 0.1 mm foil; Copper, IRMM(R) certified Reference Material, 0.5 mm wire; Copper, IRMM(R) certified Reference Material, 1.0 mm foil; Copper, IRMM(R) certified Reference Material, 1.0 mm wire; Copper, rod, 100mm, diameter 16mm, as drawn, 99.99+%; Copper, rod, 100mm, diameter 20.6mm, half hard, 99.9%; Copper, rod, 200mm, diameter 16mm, as drawn, 99.99+%; Copper, rod, 200mm, diameter 20.6mm, half hard, 99.9%; Copper, rod, 50mm, diameter 16mm, as drawn, 99.99+%; Copper, rod, 50mm, diameter 5.0mm, as drawn, 99.999%; Copper, rod, diam. 11 mm, 99.9999% trace metals basis; Copper, rod, diam. 19 mm, 99.9998% trace metals basis; Copper, wire reel, 10m, diameter 0.01mm, hard, 99.99%; Copper, wire reel, 1m, diameter 0.01mm, hard, 99.99%; Copper, wire reel, 250m, diameter 0.04mm, hard, 99.9%; Copper, wire reel, 500m, diameter 0.04mm, hard, 99.9%; Copper, wire reel, 50m, diameter 0.04mm, hard, 99.9%; Copper, wire reel, 5m, diameter 0.01mm, hard, 99.99%; Copper, wire reel, 5m, diameter 0.02mm, hard, 99.99+%; Copper, wire reel, 5m, diameter 0.5mm, annealed, 99.9%; Copper, wire, diam. 2.0 mm, 99.999% trace metals basis; Unalloyed copper, NIST(R) SRM(R) 457, Cu IV (solid); Unalloyed copper, NIST(R) SRM(R) 495, Cu II (solid); Copper foil, 0.025mm (0.001in) thick, annealed, uncoated; Copper, bars (random sizes), >=99.999% trace metals basis; Copper, foil, length 1 m, thickness 0.075 mm, purity 99.9%; Copper, foil, thickness 0.008 mm, length 1 m, purity 99.9%; Copper, foil, thickness 0.008 mm, length 2 m, purity 99.9%; Copper, foil, thickness 0.008 mm, length 5 m, purity 99.9%; Copper, foil, thickness 0.01 mm, length 1 m, purity 99.9%; Copper, foil, thickness 0.02 mm, length 1 m, purity 99.9%; Copper, foil, thickness 0.02 mm, length 10 m, purity 99.9%; Copper, foil, thickness 0.02 mm, length 2 m, purity 99.9%; Copper, foil, thickness 0.02 mm, length 5 m, purity 99.9%; Copper, foil, thickness 0.02 mm, length 50 m, purity 99.9%; Copper, foil, thickness 0.025 mm, 99.98% trace metals basis; Copper, foil, thickness 0.075 mm, purity 99.9%, length 5 m; Copper, foil, thickness 0.1 mm, length 0.5 m, purity 99.9%; Copper, foil, thickness 0.1 mm, length 1 m, coil width 1 mm; Copper, foil, thickness 0.1 mm, length 1 m, coil width 3 mm; Copper, foil, thickness 0.1 mm, length 2 m, coil width 1 mm; Copper, foil, thickness 0.1 mm, length 2 m, coil width 3 mm; Copper, foil, thickness 0.1 mm, length 5 m, coil width 1 mm; Copper, foil, thickness 0.1 mm, length 5 m, coil width 3 mm; Copper, foil, thickness 0.11 mm, length 1 m, purity 99.95%; Copper, foil, thickness 0.11 mm, length 2 m, purity 99.95%; Copper, foil, thickness 0.11 mm, length 5 m, purity 99.95%; Copper, foil, thickness 0.25 mm, 99.98% trace metals basis; Copper, foil, thickness 0.3 mm, 8 mm diameter, purity 99.9%; Copper, foil, thickness 0.3 mm, diameter 8 mm, purity 99.9%; Copper, foil, thickness 0.5 mm, 4 mm diameter, purity 99.9%; Copper, foil, thickness 0.5 mm, 6 mm diameter, purity 99.9%; Copper, foil, thickness 0.5 mm, 8 mm diameter, purity 99.9%; Copper, foil, thickness 0.5 mm, 99.98% trace metals basis; Copper, foil, thickness 0.7 mm, 4 mm diameter, purity 99.9%; Copper, foil, thickness 0.7 mm, 6 mm diameter, purity 99.9%; Copper, foil, thickness 0.7 mm, 8 mm diameter, purity 99.9%; Copper, foil, thickness 0.7 mm, length 0.5 m, purity 99.9%; Copper, foil, thickness 0.7 mm, length 1 m, purity 99.9%; Copper, foil, thickness 0.7 mm, length 2 m, purity 99.9%; Copper, foil, thickness 0.7 mm, length 5 m, purity 99.9%; Copper, foil, thickness 1.0 mm, 4 mm diameter, purity 99.9%; Copper, foil, thickness 1.0 mm, 99.999% trace metals basis; Copper, foil, thickness 1.0 mm, diameter 6 mm, purity 99.9%; Copper, foil, thickness 1.0 mm, diameter 8 mm, purity 99.9%; Copper, rod, 1000mm, diameter 2.0mm, as drawn, 99.99+%; Copper, rod, 1000mm, diameter 4.8mm, as drawn, 99.99+%; Copper, rod, 100mm, diameter 12.7mm, as drawn, 99.99+%; Copper, rod, 100mm, diameter 2.0mm, as drawn, 99.99+%; Copper, rod, 100mm, diameter 4.8mm, as drawn, 99.99+%; Copper, rod, 100mm, diameter 5.0mm, as drawn, 99.999%; Copper, rod, 100mm, diameter 6.35mm, as drawn, 99.999%; Copper, rod, 100mm, diameter 8.0mm, as drawn, 99.99+%; Copper, rod, 100mm, diameter 9.5mm, as drawn, 99.99+%; Copper, rod, 200mm, diameter 12.7mm, as drawn, 99.99+%; Copper, rod, 200mm, diameter 2.0mm, as drawn, 99.99+%; Copper, rod, 200mm, diameter 4.8mm, as drawn, 99.99+%; Copper, rod, 200mm, diameter 5.0mm, as drawn, 99.999%; Copper, rod, 200mm, diameter 6.35mm, as drawn, 99.999%; Copper, rod, 200mm, diameter 8.0mm, as drawn, 99.99+%; Copper, rod, 200mm, diameter 9.5mm, as drawn, 99.99+%; Copper, rod, 3.2 mm diameter, length 100 mm, purity 99.9%; Copper, rod, 3.2 mm diameter, length 200 mm, purity 99.9%; Copper, rod, 500mm, diameter 2.0mm, as drawn, 99.99+%; Copper, rod, 500mm, diameter 4.8mm, as drawn, 99.99+%; Copper, rod, 500mm, diameter 5.0mm, as drawn, 99.999%; Copper, rod, 500mm, diameter 6.35mm, as drawn, 99.999%; Copper, rod, 500mm, diameter 8.0mm, as drawn, 99.99+%; Copper, rod, 500mm, diameter 9.5mm, as drawn, 99.99+%; Copper, rod, 50mm, diameter 12.7mm, as drawn, 99.99+%; Copper, rod, 50mm, diameter 6.35mm, as drawn, 99.999%; Copper, rod, length 500 mm, 3.2 mm diameter, purity 99.9%; Copper, wire reel, 1000m, diameter 0.04mm, hard, 99.9%; Copper, wire reel, 1000m, diameter 0.1mm, annealed, 99.9%; Copper, wire reel, 100m, diameter 0.02mm, hard, 99.99+%; Copper, wire reel, 100m, diameter 0.05mm, annealed, 99.9%; Copper, wire reel, 100m, diameter 0.1mm, annealed, 99.9%; Copper, wire reel, 100m, diameter 0.25mm, annealed, 99.9%; Copper, wire reel, 100m, diameter 0.5mm, annealed, 99.9%; Copper, wire reel, 100m, diameter 1.0mm, annealed, 99.9%; Copper, wire reel, 10m, diameter 0.02mm, annealed, 99.99%; Copper, wire reel, 10m, diameter 0.02mm, hard, 99.99+%; Copper, wire reel, 10m, diameter 0.5mm, annealed, 99.9%; Copper, wire reel, 10m, diameter 0.5mm, as drawn, 99.999%; Copper, wire reel, 10m, diameter 1.0mm, annealed, 99.9%; Copper, wire reel, 1m, diameter 0.25mm, as drawn, 99.99+%; Copper, wire reel, 1m, diameter 0.5mm, as drawn, 99.999%; Copper, wire reel, 1m, diameter 0.75mm, as drawn, 99.98+%; Copper, wire reel, 1m, diameter 1.0mm, as drawn, 99.99+%; Copper, wire reel, 2000m, diameter 0.04mm, hard, 99.9%; Copper, wire reel, 2000m, diameter 0.1mm, annealed, 99.9%; Copper, wire reel, 200m, diameter 0.05mm, annealed, 99.9%; Copper, wire reel, 200m, diameter 1.0mm, annealed, 99.9%; Copper, wire reel, 20m, diameter 0.25mm, annealed, 99.9%; Copper, wire reel, 20m, diameter 0.5mm, as drawn, 99.999%; Copper, wire reel, 20m, diameter 1.0mm, as drawn, 99.98+%; Copper, wire reel, 250m, diameter 0.04mm, annealed, 99.9%; Copper, wire reel, 25m, diameter 0.5mm, as drawn, 99.98+%; Copper, wire reel, 25m, diameter 1.0mm, annealed, 99.9%; Copper, wire reel, 2m, diameter 0.25mm, as drawn, 99.99+%; Copper, wire reel, 2m, diameter 0.5mm, as drawn, 99.999%; Copper, wire reel, 2m, diameter 0.75mm, as drawn, 99.98+%; Copper, wire reel, 2m, diameter 1.0mm, as drawn, 99.99+%; Copper, wire reel, 500m, diameter 0.04mm, annealed, 99.9%; Copper, wire reel, 500m, diameter 0.05mm, annealed, 99.9%; Copper, wire reel, 500m, diameter 0.1mm, annealed, 99.9%; Copper, wire reel, 500m, diameter 0.25mm, annealed, 99.9%; Copper, wire reel, 500m, diameter 0.5mm, annealed, 99.9%; Copper, wire reel, 50m, diameter 0.02mm, annealed, 99.99%; Copper, wire reel, 50m, diameter 0.02mm, hard, 99.99+%; Copper, wire reel, 50m, diameter 0.04mm, annealed, 99.9%; Copper, wire reel, 50m, diameter 0.125mm, annealed, 99.9%; Copper, wire reel, 50m, diameter 0.1mm, annealed, 99.9%; Copper, wire reel, 50m, diameter 0.5mm, annealed, 99.9%; Copper, wire reel, 50m, diameter 0.5mm, as drawn, 99.98+%; Copper, wire reel, 50m, diameter 1.0mm, annealed, 99.9%; Copper, wire reel, 50m, diameter 1.0mm, as drawn, 99.98+%; Copper, wire reel, 5m, diameter 0.02mm, annealed, 99.99%; Copper, wire reel, 5m, diameter 0.05mm, as drawn, 99.99+%; Copper, wire reel, 5m, diameter 0.25mm, as drawn, 99.99+%; Copper, wire reel, 5m, diameter 0.5mm, as drawn, 99.98+%; Copper, wire reel, 5m, diameter 0.5mm, as drawn, 99.999%; Copper, wire reel, 5m, diameter 0.75mm, as drawn, 99.98+%; Copper, wire reel, 5m, diameter 1.0mm, as drawn, 99.98+%; Copper, wire reel, 5m, diameter 1.0mm, as drawn, 99.99+%; Copper, wire, diam. 0.25 mm, 99.999% trace metals basis; Copper, wire, diam. 0.64 mm, 99.995% trace metals basis; Copper shot, 0.8-2mm (0.03=0.08in), 99.5% (metal basis); Copper, 8.0 mm, size 200 mm, side length (of longer side) 52mm; Copper, 8.0 mm, size 50 mm, side length (of longer side) 52mm; Copper, foil, diameter 15 mm, thickness 0.034 mm, purity 99.95%; Copper, foil, diameter 15 mm, thickness 0.5 mm, purity 99.9%; Copper, foil, diameter 25 mm, thickness 0.1 mm, purity 99.9%; Copper, foil, diameter 4 mm, thickness 0.11 mm, purity 99.95%; Copper, foil, diameter 50 mm, thickness 0.1 mm, purity 99.9%; Copper, foil, diameter 50 mm, thickness 0.125 mm, purity 99.9%; Copper, foil, diameter 8 mm, thickness 0.003 mm, purity 99.97%; Copper, foil, diameter 8 mm, thickness 0.15 mm, purity 99.9%; Copper, foil, length 1 m, thickness 0.012 mm, purity 99.99+%; Copper, foil, length 1 m, thickness 0.05 mm, coil width 1.5 mm; Copper, foil, length 10 m, thickness 0.025 mm, purity 99.95%; Copper, foil, length 5 m, thickness 0.038 mm, coil width .25 mm; Copper, foil, thickness 0.0025 mm, 10 mm diameter, purity 99.9%; Copper, foil, thickness 0.0025 mm, 15 mm diameter, purity 99.9%; Copper, foil, thickness 0.0025 mm, 4 mm diameter, purity 99.9%; Copper, foil, thickness 0.0025 mm, 6 mm diameter, purity 99.9%; Copper, foil, thickness 0.0025 mm, 8 mm diameter, purity 99.9%; Copper, foil, thickness 0.0025 mm, diameter 25 mm, purity 99.9%; Copper, foil, thickness 0.0025 mm, diameter 50 mm, purity 99.9%; Copper, foil, thickness 0.003 mm, 10 mm diameter, purity 99.97%; Copper, foil, thickness 0.003 mm, 4 mm diameter, purity 99.97%; Copper, foil, thickness 0.003 mm, 6 mm diameter, purity 99.97%; Copper, foil, thickness 0.003 mm, diameter 15 mm, purity 99.97%; Copper, foil, thickness 0.004 mm, 15 mm diameter, purity 99.97%; Copper, foil, thickness 0.004 mm, 6 mm diameter, purity 99.97%; Copper, foil, thickness 0.004 mm, 8 mm diameter, purity 99.97%; Copper, foil, thickness 0.004 mm, diameter 10 mm, purity 99.97%; Copper, foil, thickness 0.004 mm, diameter 4 mm, purity 99.97%; Copper, foil, thickness 0.005 mm, 10 mm diameter, purity 99.9%; Copper, foil, thickness 0.005 mm, 10 mm diameter, purity 99.97%; Copper, foil, thickness 0.005 mm, 15 mm diameter, purity 99.97%; Copper, foil, thickness 0.005 mm, 4 mm diameter, purity 99.97%; Copper, foil, thickness 0.005 mm, 50 mm diameter, purity 99.9%; Copper, foil, thickness 0.005 mm, 6 mm diameter, purity 99.9%; Copper, foil, thickness 0.005 mm, 6 mm diameter, purity 99.97%; Copper, foil, thickness 0.005 mm, 8 mm diameter, purity 99.9%; Copper, foil, thickness 0.005 mm, diameter 15 mm, purity 99.9%; Copper, foil, thickness 0.005 mm, diameter 25 mm, purity 99.9%; Copper, foil, thickness 0.005 mm, diameter 4 mm, purity 99.9%; Copper, foil, thickness 0.005 mm, diameter 8 mm, purity 99.97%; Copper, foil, thickness 0.006 mm, 10 mm diameter, purity 99.97%; Copper, foil, thickness 0.006 mm, 15 mm diameter, purity 99.97%; Copper, foil, thickness 0.006 mm, 4 mm diameter, purity 99.97%; Copper, foil, thickness 0.006 mm, 6 mm diameter, purity 99.97%; Copper, foil, thickness 0.006 mm, 8 mm diameter, purity 99.97%; Copper, foil, thickness 0.007 mm, 8 mm diameter, purity 99.97%; Copper, foil, thickness 0.007 mm, diameter 10 mm, purity 99.97%; Copper, foil, thickness 0.007 mm, diameter 15 mm, purity 99.97%; Copper, foil, thickness 0.007 mm, diameter 4 mm, purity 99.97%; Copper, foil, thickness 0.007 mm, diameter 6 mm, purity 99.97%; Copper, foil, thickness 0.0076 mm, length 1 m, coil width 5 mm; Copper, foil, thickness 0.0076 mm, length 1 m, coil width 6 mm; Copper, foil, thickness 0.0076 mm, length 10 m, coil width 5 mm; Copper, foil, thickness 0.0076 mm, length 10 m, coil width 6 mm; Copper, foil, thickness 0.0076 mm, length 2 m, coil width 5 mm; Copper, foil, thickness 0.0076 mm, length 2 m, coil width 6 mm; Copper, foil, thickness 0.0076 mm, length 20 m, coil width 5 mm; Copper, foil, thickness 0.0076 mm, length 5 m, coil width 5 mm; Copper, foil, thickness 0.0076 mm, length 5 m, coil width 6 mm; Copper, foil, thickness 0.0076 mm, length 50 m, coil width 6 mm; Copper, foil, thickness 0.008 mm, 10 mm diameter, purity 99.9%; Copper, foil, thickness 0.008 mm, 25 mm diameter, purity 99.9%; Copper, foil, thickness 0.008 mm, 4 mm diameter, purity 99.9%; Copper, foil, thickness 0.008 mm, 50 mm diameter, purity 99.9%; Copper, foil, thickness 0.008 mm, diameter 15 mm, purity 99.9%; Copper, foil, thickness 0.008 mm, diameter 6 mm, purity 99.9%; Copper, foil, thickness 0.008 mm, diameter 8 mm, purity 99.9%; Copper, foil, thickness 0.008 mm, length 0.5 m, purity 99.9%; Copper, foil, thickness 0.008 mm, length 10 m, purity 99.9%; Copper, foil, thickness 0.008 mm, length 20 m, purity 99.9%; Copper, foil, thickness 0.009 mm, 10 mm diameter, purity 99.97%; Copper, foil, thickness 0.009 mm, 15 mm diameter, purity 99.97%; Copper, foil, thickness 0.009 mm, 4 mm diameter, purity 99.97%; Copper, foil, thickness 0.009 mm, 6 mm diameter, purity 99.97%; Copper, foil, thickness 0.009 mm, diameter 8 mm, purity 99.97%; Copper, foil, thickness 0.01 mm, 10 mm diameter, purity 99.9%; Copper, foil, thickness 0.01 mm, 4 mm diameter, purity 99.9%; Copper, foil, thickness 0.01 mm, 50 mm diameter, purity 99.9%; Copper, foil, thickness 0.01 mm, 6 mm diameter, purity 99.9%; Copper, foil, thickness 0.01 mm, 8 mm diameter, purity 99.9%; Copper, foil, thickness 0.01 mm, diameter 15 mm, purity 99.9%; Copper, foil, thickness 0.01 mm, diameter 25 mm, purity 99.9%; Copper, foil, thickness 0.01 mm, length 1 m, coil width 19 mm; Copper, foil, thickness 0.01 mm, length 10 m, coil width 19 mm; Copper, foil, thickness 0.01 mm, length 100 m, coil width 19 mm; Copper, foil, thickness 0.01 mm, length 200 m, coil width 19 mm; Copper, foil, thickness 0.01 mm, length 5 m, coil width 19 mm; Copper, foil, thickness 0.01 mm, length 50 m, coil width 19 mm; Copper, foil, thickness 0.01 mm, size 25 x 25 mm, purity 99.9%; Copper, foil, thickness 0.01 mm, size 50 x 50 mm, purity 99.9%; Copper, foil, thickness 0.012 mm, 4 mm diameter, purity 99.99+%; Copper, foil, thickness 0.012 mm, 6 mm diameter, purity 99.99+%; Copper, foil, thickness 0.012 mm, diameter 8 mm, purity 99.99+%; Copper, foil, thickness 0.012 mm, length 0.3 m, purity 99.99+%; Copper, foil, thickness 0.012 mm, length 0.5 m, purity 99.99+%; Copper, foil, thickness 0.012 mm, length 2 m, purity 99.99+%; Copper, foil, thickness 0.0125 mm, 10 mm diameter, purity 99.9%; Copper, foil, thickness 0.0125 mm, 15 mm diameter, purity 99.9%; Copper, foil, thickness 0.0125 mm, 50 mm diameter, purity 99.9%; Copper, foil, thickness 0.0125 mm, 6 mm diameter, purity 99.9%; Copper, foil, thickness 0.0125 mm, 8 mm diameter, purity 99.9%; Copper, foil, thickness 0.0125 mm, diameter 25 mm, purity 99.9%; Copper, foil, thickness 0.0125 mm, diameter 4 mm, purity 99.9%; Copper, foil, thickness 0.0125 mm, length 0.5 m, purity 99.9%; Copper, foil, thickness 0.0125 mm, length 1 m, purity 99.9%; Copper, foil, thickness 0.0125 mm, length 10 m, purity 99.9%; Copper, foil, thickness 0.0125 mm, length 2 m, purity 99.9%; Copper, foil, thickness 0.0125 mm, length 5 m, purity 99.9%; Copper, foil, thickness 0.013 mm, 4 mm diameter, purity 99.99+%; Copper, foil, thickness 0.013 mm, 8 mm diameter, purity 99.99+%; Copper, foil, thickness 0.013 mm, diameter 6 mm, purity 99.99+%; Copper, foil, thickness 0.013 mm, length 0.3 m, purity 99.99+%; Copper, foil, thickness 0.013 mm, length 0.5 m, purity 99.99+%; Copper, foil, thickness 0.013 mm, length 1 m, purity 99.99+%; Copper, foil, thickness 0.013 mm, length 2 m, purity 99.99+%; Copper, foil, thickness 0.014 mm, 4 mm diameter, purity 99.99+%; Copper, foil, thickness 0.014 mm, 6 mm diameter, purity 99.99+%; Copper, foil, thickness 0.014 mm, diameter 8 mm, purity 99.99+%; Copper, foil, thickness 0.014 mm, length 0.3 m, purity 99.99+%; Copper, foil, thickness 0.014 mm, length 0.5 m, purity 99.99+%; Copper, foil, thickness 0.014 mm, length 1 m, purity 99.99+%; Copper, foil, thickness 0.014 mm, length 2 m, purity 99.99+%; Copper, foil, thickness 0.015 mm, 10 mm diameter, purity 99.97%; Copper, foil, thickness 0.015 mm, 15 mm diameter, purity 99.97%; Copper, foil, thickness 0.015 mm, 4 mm diameter, purity 99.97%; Copper, foil, thickness 0.015 mm, 4 mm diameter, purity 99.99+%; Copper, foil, thickness 0.015 mm, 6 mm diameter, purity 99.97%; Copper, foil, thickness 0.015 mm, 6 mm diameter, purity 99.99+%; Copper, foil, thickness 0.015 mm, diameter 25 mm, purity 99.97%; Copper, foil, thickness 0.015 mm, diameter 8 mm, purity 99.97%; Copper, foil, thickness 0.015 mm, diameter 8 mm, purity 99.99+%; Copper, foil, thickness 0.015 mm, length 0.3 m, purity 99.99+%; Copper, foil, thickness 0.015 mm, length 0.5 m, purity 99.99+%; Copper, foil, thickness 0.015 mm, length 1 m, coil width 10 mm; Copper, foil, thickness 0.015 mm, length 1 m, purity 99.99+%; Copper, foil, thickness 0.015 mm, length 10 m, coil width 10 mm; Copper, foil, thickness 0.015 mm, length 2 m, coil width 10 mm; Copper, foil, thickness 0.015 mm, length 2 m, purity 99.99+%; Copper, foil, thickness 0.015 mm, length 20 m, coil width 10 mm; Copper, foil, thickness 0.015 mm, length 5 m, coil width 10 mm; Copper, foil, thickness 0.0175 mm, 10 mm diameter, purity 99.9%; Copper, foil, thickness 0.0175 mm, 15 mm diameter, purity 99.9%; Copper, foil, thickness 0.0175 mm, 4 mm diameter, purity 99.9%; Copper, foil, thickness 0.0175 mm, 50 mm diameter, purity 99.9%; Copper, foil, thickness 0.0175 mm, 6 mm diameter, purity 99.9%; Copper, foil, thickness 0.0175 mm, diameter 25 mm, purity 99.9%; Copper, foil, thickness 0.0175 mm, diameter 8 mm, purity 99.9%; Copper, foil, thickness 0.0175 mm, length 0.5 m, purity 99.9%; Copper, foil, thickness 0.0175 mm, length 1 m, purity 99.9%; Copper, foil, thickness 0.0175 mm, length 10 m, purity 99.9%; Copper, foil, thickness 0.0175 mm, length 2 m, purit",
"trade_name": "",
"abbrev_name": "",
"description": "transition metal",
"molecular_formula": "Cu",
"molecular_weight": "63.55",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "Copper appears to be eliminated primarily through bile [A19514].",
"protein_binding": "Copper is nearly entirely bound by ceruloplasmin (65-90%), plasma albumin (18%), and alpha 2-macroglobulin (12%) [A19528].",
"half_life": "",
"absorption": "Copper absorption varies inversely with intake. Absorption range is 12-65%.",
"cid": "23978",
"classification": "Others",
"indications": "Amenorrhoea; Nulliparous; Unintended pregnancy",
"side_effects": "Haemoglobin; Haemorrhage; Pain; Pregnancy",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F01",
"F0201",
"F0701"
],
"references": [
"RC03936",
"RC03937",
"RC03938",
"RC03939",
"RC03940"
]
},
{
"compound_ID": "D0033",
"name": "Dacarbazine",
"synonyms": "Dacarbazine",
"trade_name": "",
"abbrev_name": "",
"description": "antineoplastic agent",
"molecular_formula": "C6H10N6O",
"molecular_weight": "182.18",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "Dacarbazine is subject to renal tubular secretion rather than glomerular filtration. In man, dacarbazine is extensively degraded. Besides unchanged dacarbazine, 5-aminoimidazole -4 carboxamide (AIC) is a major metabolite of dacarbazine excreted in the urine.",
"protein_binding": "Less than 5%",
"half_life": "5 hours",
"absorption": "Erratic, slow and incomplete.",
"cid": "135398738",
"classification": "L",
"indications": "Hodgkin's disease; Hodgkin's disease lymphocyte depletion type stage unspecified; Hodgkin's disease lymphocyte predominance type stage unspecified; Lymphoma; Malignant melanoma; Malignant neoplasm of islets of Langerhans; Medullary thyroid cancer; Metastatic malignant melanoma; Neoplasm malignant; Neuroblastoma; Non-Hodgkin's lymphoma; Sarcoma",
"side_effects": "Pancytopenia (0.25); Vascular occlusion (1e-04)",
"atc_codes": "L01AX04",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0034",
"name": "Dantrolene",
"synonyms": "dantrolene; Dantroleno; 7261-97-4; Dantrolenum; Dantrolenum [INN-Latin]; Dantroleno [INN-Spanish]; Dantrium; UNII-F64QU97QCR; F-368; Ryanodex; 1-((5-(p-Nitrophenyl)furfurylidene)amino)hydantoin; HSDB 3050; C14H10N4O5; EINECS 230-684-8; BRN 0705189; F64QU97QCR; Hydantoin, 1-((5-(p-nitrophenyl)furfurylidene)amino)-; 1-(((5-(4-Nitrophenyl)-2-furanyl)methylene)amino)-2,4-imidazolidinedione; 2,4-Imidazolidinedione, 1-(((5-(4-nitrophenyl)-2-furanyl)methylene)amino)-; 1-({[5-(4-nitrophenyl)furan-2-yl]methylidene}amino)imidazolidine-2,4-dione; 1-[[5-(p-Nitrophenyl)furfurylidene]amino]hydantoin; 2,4-Imidazolidinedione, 1-[[[5-(4-nitrophenyl)-2-furanyl]methylene]amino]-; 833480-90-3; Dantrolene [USAN:BAN:INN]; Dantrolene (USAN/INN); CHEBI:4317; OZOMQRBLCMDCEG-VIZOYTHASA-N; Dantrolene [USAN:INN:BAN]; Prestwick2_000291; Prestwick3_000291; Spectrum5_001752; NCGC00163132-01; Lopac0_000424; SCHEMBL40893; BSPBio_000222; BSPBio_001305; BSPBio_003074; BIDD:GT0187; BPBio1_000246; CHEMBL1201288; SCHEMBL12417164; BCBcMAP01_000067; DTXSID70873546; (E)-1-(((5-(4-nitrophenyl)furan-2-yl)methylene)amino)imidazolidine-2,4-dione; HMS1361B07; HMS1791B07; HMS1989B07; HMS3402B07; 85008-71-5; ZINC7997966; BDBM50198767; DB01219; 1-({(1E)-[5-(4-nitrophenyl)furan-2-yl]methylidene}amino)imidazolidine-2,4-dione; IDI1_000898; IDI1_033775; NCGC00163402-01; NCGC00163402-02; NCGC00163402-03; NCGC00188950-01; LS-76264; R452; A13928; C06939; D02347; SR-01000076241-8; BRD-K81272440-001-02-6; BRD-K81272440-236-05-1; 1-[5-(4-nitro-phenyl)-furan-2-ylmethyleneamino]-imidazolidine-2,4-dione; 1-(((E)-[5-(4-Nitrophenyl)-2-furyl]methylidene)amino)-2,4-imidazolidinedione #; [4-(5-{(E)-[(2,4-Dioxoimidazolidin-1-yl)imino]methyl}furan-2-yl)phenyl](hydroxy)oxoammonium",
"trade_name": "",
"abbrev_name": "",
"description": "hydantoin derivative; postsynaptic muscle relaxant; ryanodine receptor antagonist",
"molecular_formula": "C14H10N4O5",
"molecular_weight": "314.25",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "Significant, mostly to albumin.",
"half_life": "The mean biologic half-life after intravenous administration is variable, between 4 to 8 hours under most experimental conditions, while oral is 8.7 hours for a 100mg dose.",
"absorption": "Bioavailability is 70%.",
"cid": "6914273",
"classification": "M",
"indications": "Body temperature increased; Carbon dioxide increased; Cerebral palsy; Cerebrovascular accident; Clonus; Cyanosis; Hypercapnia; Hypermetabolism; Immobile; Metabolic acidosis; Multiple sclerosis; Muscle rigidity; Muscle spasticity; Neuroleptic malignant syndrome; Spinal cord injury; Tachycardia; Tachypnoea",
"side_effects": "Asthenia; Atrioventricular block; Dizziness; Dysphagia; Dysphonia; Feeling abnormal; Flushing; Headache; Infusion site pain; Muscular weakness; Nausea; Pain in extremity; Somnolence; Tachycardia; Vision blurred; Vomiting",
"atc_codes": "M03CA01",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T002",
"T004",
"T005",
"T019"
],
"function": [
"F020103"
],
"references": [
"RC00132",
"RC00133",
"RC00134",
"RC00135",
"RC00136"
]
},
{
"compound_ID": "D0035",
"name": "Darglitazone",
"synonyms": "Darglitazone; 141200-24-0; 5-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione; Darglitazone [INN]; [3H]Darglitazone; 149904-87-0; DSSTox_CID_31433; DSSTox_RID_97319; DSSTox_GSID_57644; SCHEMBL37497; CHEMBL55624; DTXSID3057644; BDBM33297; QQKNSPHAFATFNQ-UHFFFAOYSA-N; BCP30326; Tox21_113876; NCGC00253763-01; 2,4-Thiazolidinedione, 5-((4-(3-(5-methyl-2-phenyl-4-oxazolyl)-1-oxopropyl)phenyl)methyl)-, (+-)-; CAS-141200-24-0; 88071-EP2270011A1; 88071-EP2272825A2; 88071-EP2272841A1; 88071-EP2298776A1; 88071-EP2301936A1; 88071-EP2305648A1; Q5222642; 5-[4-(3-(5-Methyl-2-phenyl-4-oxazolyl)propionyl)benzyl]thiazolidine-2,4-dione; 5-[4-[3-(5-Methyl-2-phenyl-4-oxazolyl)propanoyl]benzyl]thiazolidine-2,4-dione; CP-86,325-2; CP86,325-2; CP 86,325-2; CP-86,325; CP86,325; CP 86,325",
"trade_name": "",
"abbrev_name": "",
"description": "thiazolidinedione; peroxisome proliferator-activated receptor-gamma agonist",
"molecular_formula": "C23H20N2O4S",
"molecular_weight": "420.5",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "60870",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0036",
"name": "Daunorubicin",
"synonyms": "daunorubicin; Daunomycin; 20830-81-3; Rubidomycin; Daunorubicine; Acetyladriamycin; Leukaemomycin C; Cerubidine; Daunamycin; Daunarubicinum; Daunorrubicina; Daunorubicinum; Cerubidin; DaunoXome; Rubomycin C; (+)-Daunomycin; Daunoblastin; Rubomycin; Daunorubicinum [INN-Latin]; Daunorubicin [INN:BAN]; RP 13057; RCRA waste no. U059; FI6339; NSC-82151; DaunoXome (TN); UNII-ZS7284E0ZP; CCRIS 914; ZS7284E0ZP; CHEBI:41977; HSDB 5095; C27H29NO10; NCI-C04693; EINECS 244-069-7; NSC 83142; (8S-cis)-8-Acetyl-10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyrannosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-napthacenedione; BRN 1445583; NCGC00024246-05; Anthracyline; Daunoblastine; AI3-52942; NDC-0082-4155; DSSTox_CID_2883; Dauno-Rubidomycine; DSSTox_RID_76773; DSSTox_GSID_22883; 5,12-Naphthacenedione, 8-acetyl-10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S-cis)-; MLS000069508; (1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside; 5,12-Naphthacenedione, 8-acetyl-10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S,10S)-; CAS-20830-81-3; Daunorubicin (INN); NSC82151; FI-6339; Daunorubicin (liposomal); RP-13057; SMR000058559; NDC 0082-4155; Daunorubicina; SR-01000000033; SR-05000001600; VS-103; FI 6339; Tocris-1467; Daunorubicin(Daunomycin); (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride; Prestwick3_000487; CHEMBL178; SCHEMBL3041; BSPBio_000353; cid_62770; BPBio1_000389; GTPL7063; DTXSID7022883; BDBM32017; STQGQHZAVUOBTE-VGBVRHCVSA-N; HMS2089H04; HMS2091K06; Pharmakon1600-01500223; ZINC3917708; Tox21_110896; BDBM50368352; GR-318; HY-13062A; LMPK13050002; LS-997; NSC756717; Tox21_110896_1; API0005415; CCG-212559; CS-2004; DB00694; NSC-756717; NCGC00024246-06; NCGC00024246-07; NCGC00024246-09; NCGC00024246-10; NCGC00024246-15; NCGC00025173-01; (1S,3S)-3-acetyl-3,5,12-trihydroxy-10-(methyloxy)-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside; (1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-a-L-lyxo-hexopyranoside; (7S,9R)-9-Acetyl-7-[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-oxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione; (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione; SC-18793; SBI-0206677.P002; AX8123492; LS-187381; AB00514669; FT-0624457; 30D813; C01907; D07776; 15159-EP2270008A1; 15159-EP2272827A1; 15159-EP2277565A2; 15159-EP2277566A2; 15159-EP2277567A1; 15159-EP2277568A2; 15159-EP2277569A2; 15159-EP2277570A2; 15159-EP2289892A1; 15159-EP2292280A1; 15159-EP2292617A1; 15159-EP2295416A2; 15159-EP2295426A1; 15159-EP2295427A1; 15159-EP2298748A2; 15159-EP2298778A1; 15159-EP2301928A1; 15159-EP2305642A2; 15159-EP2305679A1; 15159-EP2308833A2; 15159-EP2308861A1; 15159-EP2311808A1; 15159-EP2311829A1; 15159-EP2311842A2; 15159-EP2316832A1; 15159-EP2316833A1; 16803-EP2272832A1; 16803-EP2277565A2; 16803-EP2277566A2; 16803-EP2277567A1; 16803-EP2277568A2; 16803-EP2277569A2; 16803-EP2277570A2; 16803-EP2280012A2; 16803-EP2281815A1; 16803-EP2286812A1; 16803-EP2292280A1; 16803-EP2292615A1; 16803-EP2298768A1; 16803-EP2301928A1; 16803-EP2301933A1; 16803-EP2305640A2; 16803-EP2305671A1; 16803-EP2311825A1; 16803-EP2311827A1; 16803-EP2311840A1; 16803-EP2316937A1; AB00514669-09; AB01644616_09; AB01644616_10; Q411659; SR-01000000033-4; SR-05000001600-1; SR-05000001600-2; BRD-K43389675-001-01-3; BRD-K43389675-003-02-7; BRD-K43389675-003-03-5; BRD-K43389675-003-20-9; (7S,9S)-7-[(2R,4S,5S,6S)-4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl]oxy-9-ethanoyl-4-methoxy-6,9,11-tris(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride; (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-quinone;hydrochloride; (7S,9S)-9-acetyl-7-[[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-2-oxanyl]oxy]-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride; (8S,10S)-8-acetyl-10-(((2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-6,8,11-trihydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione; (8S,10S)-8-acetyl-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-6,8,11-trihydroxy-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione; (8S-cis)-8-Acetyl-10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro--6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione; 1407-15-4",
"trade_name": "",
"abbrev_name": "",
"description": "anthracycline aminoglycoside antineoplastic",
"molecular_formula": "C27H29NO10",
"molecular_weight": "527.5",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "Twenty-five percent of an administered dose of daunorubicin hydrochloride is eliminated in an active form by urinary excretion and an estimated 40% by biliary excretion.",
"protein_binding": "97% binding-albumin",
"half_life": "18.5 hours",
"absorption": "",
"cid": "30323",
"classification": "L",
"indications": "",
"side_effects": "",
"atc_codes": "L01DB02; L01XY01",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T002",
"T408"
],
"function": [
"F0108",
"F0201",
"F0303"
],
"references": [
"RC04049",
"RC04173",
"RC04297",
"RC04421",
"RC04545"
]
},
{
"compound_ID": "D0037",
"name": "Desipramine",
"synonyms": "desipramine; Norimipramine; Desmethylimipramine; Desipramin; Demethylimipramine; Monodemethylimipramine; 50-47-5; Desimipramine; Dimethylimipramine; Dezipramine; Methylaminopropyliminodibenzyl; 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE; desipraminum; Desimpramine; Desipramina; Norpramine; Sertofran; DMI (pharmaceutical); N-(3-Methylaminopropyl)iminobibenzyl; 5-(gamma-Methylaminopropyl)iminodibenzyl; Desipramine (D4); Imipramine, demethyl-; DMI 50475; Desipramine [INN:BAN]; Desipraminum [INN-Latin]; Desipramina [INN-Spanish]; UNII-TG537D343B; CCRIS 7091; 5H-Dibenz[b,f]azepine-5-propanamine, 10,11-dihydro-N-methyl-; HSDB 3052; CHEMBL72; EINECS 200-040-0; 10,11-Dihydro-5-(3-methylaminopropyl)-5H-dibenz(b,f)azepine; BRN 1432747; CHEBI:47781; 5H-Dibenz(b,f)azepine-5-propanamine, 10,11-dihydro-N-methyl-; HCYAFALTSJYZDH-UHFFFAOYSA-N; TG537D343B; (3-(10H,11H-Dibenzo[b,f]azepin-5-yl)propyl)methylamine; Pertrofane; 5H-Dibenz(b,f)azepine, 10,11-dihydro-5-(3-(methylamino)propyl)-; Desipramine (INN); CAS-58-28-6; NCGC00015340-02; Treyzafagit; 5H-Dibenz[b,f]azepine, 10,11-dihydro-5-[3-(methylamino)propyl]-; 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine; Pertofran (Salt/Mix); Spectrum_000441; Pertofrane (Salt/Mix); 3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-methylpropan-1-amine hydrochloride; Prestwick0_000343; Prestwick1_000343; Prestwick2_000343; Prestwick3_000343; Spectrum2_000091; Spectrum3_000379; Spectrum4_000314; Spectrum5_000833; Lopac-D-3900; Lopac0_000358; SCHEMBL34384; BSPBio_000405; BSPBio_002137; KBioGR_000928; KBioSS_000921; DivK1c_000190; SPBio_000042; SPBio_002326; BPBio1_000447; GTPL2399; DTXSID6022896; BDBM35229; KBio1_000190; KBio2_000921; KBio2_003489; KBio2_006057; KBio3_001357; NINDS_000190; 10, 11-Dihydro-N-methyl-5H-dibez[b,f]azepine-5-propanamine; HMS3430H03; HMS3742I19; ALBB-025959; ZINC1530611; ZX-AN024471; 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methyl-propan-1-amine; 6943AB; SBB002569; STK735144; AKOS001681456; API0009063; CCG-118231; DB01151; MCULE-5904286906; IDI1_000190; NCGC00015340-01; NCGC00015340-03; NCGC00015340-04; NCGC00015340-05; NCGC00015340-06; NCGC00015340-07; NCGC00015340-08; NCGC00015340-09; NCGC00015340-10; NCGC00015340-11; NCGC00015340-13; NCGC00024375-04; AC-15977; LS-60421; ST052019; SBI-0050346.P004; AX8123821; AB00053450; R1868; C06943; D07791; AB00053450_14; 050D475; L001089; Q423288; BRD-K60762818-003-15-3; 5-(3-methylaminopropyl)-10,11-dihydro-5H-dibenzo[b,f]azepine; [3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl]methylamine; 5H-Dibenzo[b, f]azepine, N-(3-methylaminopropyl)-, 10,11-Dihydro; 3-(10,11-Dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-methyl-1-propanamine #; 3-(10,11-Dihydro-5H-dibenzo[b,f]azepin-5-yl);-N-methylpropan-1-amine; [3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl]methylamine hydrochloride; (3-{2-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl}propyl)(methyl)amine",
"trade_name": "Norpramin, Pertofrane",
"abbrev_name": "",
"description": "dibenzazepine-derivative tricyclic antidepressant (TCA); inhibitors of serotonin and norepinephrine reuptake",
"molecular_formula": "C18H22N2",
"molecular_weight": "266.4",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "Desipramine is metabolized in the liver, and approximately 70% is excreted in the urine.",
"protein_binding": "73-92% bound to plasma proteins",
"half_life": "7-60+ hours; 70% eliminated renally",
"absorption": "Desipramine hydrochloride is rapidly and almost completely absorbed from the gastrointestinal tract. It undergoes extensive first-pass metabolism. Peak plasma concentrations are attained 4 - 6 hours following oral administration.",
"cid": "2995",
"classification": "N",
"indications": "Bipolar disorder; Bipolar I disorder; Depression; Dysthymic disorder; Orthostatic hypotension; Psychotic disorder",
"side_effects": "",
"atc_codes": "N06AA01",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F021203",
"F0504"
],
"references": [
"RC03625",
"RC03626"
]
},
{
"compound_ID": "D0038",
"name": "Diclofenac",
"synonyms": "diclofenac; 15307-86-5; Diclofenac acid; Voltaren; dichlofenac; Diclofenacum; Diclofenaco; Diclophenac; 2-(2-((2,6-Dichlorophenyl)amino)phenyl)acetic acid; ProSorb-D; Voltarol; Diclofenac resinate; Pennsaid; 2-((2,6-Dichlorophenyl)amino)benzeneacetic acid; 2-(2,6-Dichloroanilino)phenylacetic Acid; Diclofenacum [INN-Latin]; Benzeneacetic acid, 2-[(2,6-dichlorophenyl)amino]-; Diclofenaco [INN-Spanish]; Solaraze; UNII-144O8QL0L1; CHEBI:47381; Voltaren-XR; 2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid; HSDB 7234; DCOPUUMXTXDBNB-UHFFFAOYSA-N; 2-[2-(2,6-dichloroanilino)phenyl]acetic acid; EINECS 239-348-5; 2-[(2,6-Dichlorophenyl)amino]benzeneacetic acid; CHEMBL139; {2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid; BRN 2146636; 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID; ACETIC ACID, (o-(2,6-DICHLOROANILINO)PHENYL)-; [2-(2,6-Dichloroanilino)phenyl]acetic acid; 144O8QL0L1; Arthrotec; Olfen; Benzeneacetic acid, 2-((2,6-dichlorophenyl)amino)-; Novapirina; Solaraze (TN); 2-[(2,6-dichlorophenyl)amino]-benzeneacetic acid; 2-[2-(2,6-dichlorophenyl)aminophenyl]ethanoic acid; 2-[2-[(2,6-dichlorophenyl)amino]phenyl]acetic acid; Dichlofenal; Dicrofenac; Zorovolex; Zorvolex; Diclonate P; Diclofenamic acid; DIF; Diclofenac [INN:BAN]; GP-45840; (2-((2,6-Dichlorophenyl)amino-phenyl)acetic acid (HD); Diclofenac [USAN:INN:BAN]; ISV-205; SR-38; Zorvolex (TN); Spectrum_000930; GP-45,840; Diclofenac (USAN/INN); Prestwick0_000594; Prestwick1_000594; Prestwick2_000594; Prestwick3_000594; Spectrum2_000991; Spectrum3_000385; Spectrum4_000506; Spectrum5_000867; ACMC-209d8r; Epitope ID:116873; EC 239-348-5; SCHEMBL2799; Lopac0_000441; Oprea1_011155; BSPBio_000468; BSPBio_002169; KBioGR_001051; KBioGR_002306; KBioSS_001410; KBioSS_002308; MLS006011795; BIDD:GT0380; DivK1c_000272; DivK1c_000402; SPBio_001081; SPBio_002687; BPBio1_000516; GTPL2714; ZINC1281; DTXSID6022923; BDBM13066; CTK8B0851; HMS501E04; KBio1_000272; KBio1_000402; KBio2_001410; KBio2_002306; KBio2_003978; KBio2_004874; KBio2_006546; KBio2_007442; KBio3_001389; KBio3_002786; 2b17; cMAP_000014; NINDS_000272; NINDS_000402; HMS2090C10; BCP09087; BCP13860; EBD50236; KS-000001OB; ANW-21433; STK984493; AKOS001579542; CS-2862; DB00586; KS-1258; MCULE-1824024270; IDI1_000272; IDI1_000402; NCGC00021125-01; NCGC00021125-02; AC-27673; AK-75694; HY-15036; LS-11575; o-(2,6-dichloroanilino)phenylacetic acid; SC-16284; SMR001550371; SBI-0051341.P003; AB1009343; TC-110178; D3748; FT-0624731; ST51039044; UNM000001216103; [2-(2,6-Dichloroanilino)phenyl]acetic acid #; C01690; D07816; M-7482; [o-(2,6-dichloro-anilino)-phenyl]-acetic acid; 2-[(2,6-dichlorophenyl)amino]phenylacetic acid; 2-[2-(2,6-dichloroanilino)phenyl]acetic acid.; AB01275502-01; AB01275502_02; 056D694; 2-(2-(2,6-dichlorophenylamino)phenyl)acetic acid; 2-[(2,6-dichlorophenyl)amino]-phenyl-acetic acid; Q244408; [2-(2,6-dichloro-phenylamino)-phenyl]-acetic acid; 2-[(2,6-dichlorophenyl)-amino]-benzeneacetic acid; 2-[(2,6-dichlorophenyl)-amino]-phenyl-acetic acid; 2-[2-(2,6-dichlorophenylamino)phenyl]-acetic acid; SR-01000003041-3; 2-[2-(2,6-dichlorophenylamino)-phenyl]-acetic acid; BRD-K08252256-236-05-6; BRD-K08252256-236-17-1; Z57664869; F0722-0745; Benzeneacetic acid, 2-((2,6-dichlorophenyl)amino)- (9CI); 2-[2-[(2,6-Dichlorophenyl)amino]phenyl]acetic Acid (Diclofenac); [2-(2,6-Dichloroanilino)phenyl]-acetic acid; 2-[2-(2,6-Dichlorophenyl)aminophenyl]ethanoic acid",
"trade_name": "Cataflam, Voltaren",
"abbrev_name": "",
"description": "phenylacetic acid derivative; non-steroidal anti-inflammatory drug (NSAID); non-selective COX inhibitor; Anti-inflammatory",
"molecular_formula": "C14H11Cl2NO2",
"molecular_weight": "296.1",
"state": "solid",
"clearance": "* oral cl=622 mL/min [healthy]\n* renal cl <1 mL/min [healthy]",
"volume_of_distribution": "* 1.3 L/kg",
"route_of_elimination": "Diclofenac is eliminated through metabolism and subsequent urinary and biliary excretion of the glucuronide and the sulfate conjugates of the metabolites. Little or no free unchanged diclofenac is excreted in the urine. Approximately 65% of the dose is excreted in the urine and approximately 35% in the bile as conjugates of unchanged diclofenac plus metabolites.",
"protein_binding": "More than 99%",
"half_life": "2 hours",
"absorption": "Completely absorbed from the gastrointestinal tract.",
"cid": "3033",
"classification": "S; M; D",
"indications": "Actinic keratosis; Ankylosing spondylitis; Arthritis; Aura; Biliary colic; Body temperature increased; Cataract; Chronic hepatitis; Cluster headache; Contusion; Convulsion; Ear infection; Effusion; Foetor hepaticus; Gastrointestinal disorder; Gout; Hepatic cirrhosis; Hepatic function abnormal; Hepatocellular injury; Hypotension; Infection; Inflammation; Injury; Juvenile idiopathic arthritis; Ligament sprain; Pharyngotonsillitis; Photophobia; Polyuria; Post-traumatic pain; Procedural pain; Pulmonary function test decreased; Renal colic; Renal impairment; Respiratory depression; Rheumatic disorder; Rheumatoid arthritis; Salpingo-oophoritis; Seborrhoeic keratosis; Spinal osteoarthritis; Spondylitis; Swelling; Vomiting; Wound",
"side_effects": "Abdominal discomfort (0.02); Urticaria (0.002); Abdominal pain; Abdominal pain upper; Acne; Alanine aminotransferase increased; Alopecia; Anxiety; Application site dryness; Application site erythema; Application site induration; Application site irritation; Application site papules; Application site paraesthesia; Application site pruritus; Application site rash; Application site reaction; Application site vesicles; Arthralgia; Arthropathy; Aspartate aminotransferase increased; Asthenia; Asthma; Back pain; Blood creatine phosphokinase increased; Blood creatinine increased; Breath odour; Chest pain; Chills; Conjunctivitis; Constipation; Contusion; Dermatitis; Dermatitis bullous; Dermatitis contact; Diarrhoea; Dizziness; Dry skin; Dysgeusia; Dyspepsia; Dyspnoea; Ecchymosis; Eye pain; Flatulence; Gastrointestinal disorder; Gastrointestinal pain; Haematuria; Headache; Herpes simplex; Hyperaesthesia; Hypercholesterolaemia; Hyperglycaemia; Hypersensitivity; Hypertension; Hypokinesia; Induration; Infection; Influenza; Injury; Malnutrition; Migraine; Musculoskeletal discomfort; Myalgia; Nausea; Neck pain; Nervous system disorder; Oedema; Osteoarthritis; Pain; Pain in extremity; Paraesthesia; Pharyngitis; Phlebitis; Photosensitivity reaction; Pneumonia; Pruritus; Rash; Rash maculo-papular; Rash pustular; Sinus congestion; Sinusitis; Skin cancer; Skin exfoliation; Skin mass; Skin ulcer; Somnolence; Urinary tract infection; Vomiting",
"atc_codes": "M02AA15; S01CC01; M01AB55; S01BC03; D11AX18; M01AB05",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T002",
"T004",
"T005",
"T019",
"T020",
"T227",
"T408"
],
"function": [
"F01",
"F0104",
"F0105",
"F010502",
"F0108",
"F0201",
"F02010102",
"F02010103",
"F020103",
"F0206",
"F02060101",
"F02110302",
"F021201",
"F021202",
"F0213",
"F0221",
"F0303",
"F0504",
"F070105",
"F070106"
],
"references": [
"RC00137",
"RC00138",
"RC00139",
"RC00140",
"RC00141",
"RC00980",
"RC00470",
"RC00471",
"RC00472",
"RC00473",
"RC00474",
"RC00477",
"RC00478",
"RC00481",
"RC00482",
"RC00485",
"RC00486",
"RC00492",
"RC00496",
"RC00506",
"RC00510",
"RC03605",
"RC00981",
"RC03552",
"RC03613",
"RC03806",
"RC04052",
"RC04176",
"RC04300",
"RC04424",
"RC04548",
"RC04773",
"RC04786",
"RC04799",
"RC04812",
"RC04825",
"RC04838",
"RC04851",
"RC04864"
]
},
{
"compound_ID": "D0039",
"name": "Didanosine",
"synonyms": "Didanosine;",
"trade_name": "Videx",
"abbrev_name": "DDI",
"description": "dideoxynucleoside; nucleoside analogue of adenosine; inhibitor of HIV replication; reverse-transcriptase inhibitor",
"molecular_formula": "C10H12N4O3",
"molecular_weight": "236.23",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "Based on data from in vitro and animal studies, it is presumed that the metabolism of didanosine in man occurs by the same pathways responsible for the elimination of endogenous purines. Purines are eliminated by the kidneys.",
"protein_binding": "Low (<5%)",
"half_life": "30 minutes in plasma and more than 12 hours in intracellular environment.",
"absorption": "Rapidly absorbed (bioavailability 30-40%) with peak plasma concentrations appearing within 0.5 and 1.5 hrs.",
"cid": "135398739",
"classification": "J",
"indications": "Disease progression; Immunodeficiency; Infection; Liver disorder; Pancreatitis; Renal failure; Renal impairment",
"side_effects": "Abdominal pain; Dermatitis; Diarrhoea; Gastrointestinal pain; Neurological symptom; Neuropathy peripheral; Pancreatitis; Pruritus; Rash",
"atc_codes": "J05AF02",
"group": "Drug",
"drug_type": "",
"target": [
"T234"
],
"function": [
"F060102"
],
"references": [
"RC03675"
]
},
{
"compound_ID": "D0040",
"name": "Diflunisal",
"synonyms": "diflunisal; 22494-42-4; Dolobid; Dolobis; Fluniget; Flovacil; Fluodonil; Adomal; Flustar; Diflunisalum; Algobid; Citidol; Noaldol; Reuflos; Unisal; 5-(2,4-Difluorophenyl)salicylic acid; 5-(2,4-difluorophenyl)-2-hydroxybenzoic acid; Diflusinal; MK 647; MK-647; Diflunisalum [INN-Latin]; 5-[2,4-Difluorophenyl]salicylic acid; 2-(Hydroxy)-5-(2,4-difluorophenyl)benzoic acid; [1,1'-Biphenyl]-3-carboxylic acid, 2',4'-difluoro-4-hydroxy-; 2',4'-Difluoro-4-hydroxy-3-biphenylcarboxylic acid; UNII-7C546U4DEN; 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-BENZOIC ACID; 2',4'-difluoro-4-hydroxybiphenyl-3-carboxylic acid; C13H8F2O3; EINECS 245-034-9; 2',4'-Difluoro-4-hydroxy-(1,1'-biphenyl)-3-carboxylic acid; CHEMBL898; BRN 2654431; MLS000028678; 7C546U4DEN; Difludol; 3-BIPHENYLCARBOXYLIC ACID, 2',4'-DIFLUORO-4-HYDROXY-; CHEBI:39669; (1,1'-Biphenyl)-3-carboxylic acid, 2',4'-difluoro-4-hydroxy-; HUPFGZXOMWLGNK-UHFFFAOYSA-N; NCGC00016765-01; AK161747; Dolisal; Dolobil; SMR000058723; CAS-22494-42-4; DSSTox_CID_2932; DSSTox_RID_76792; DSSTox_GSID_22932; 1FL; Dolobid (TN); Diflunisal [USAN:INN:BAN:JAN]; SR-01000003165; Diflunisal (JAN/USP/INN); 2',4'-difluoro-4-hydroxy-[1,1'-biphenyl]-3-carboxylic acid; Diflunisal-d3; Prestwick_168; MFCD00057834; Diflunisal [USAN:USP:INN:BAN:JAN]; PubChem14748; Spectrum_000962; Opera_ID_803; Prestwick0_000039; Prestwick1_000039; Prestwick2_000039; Prestwick3_000039; Spectrum2_001012; Spectrum3_000392; Spectrum4_000513; Spectrum5_000901; SCHEMBL4337; BSPBio_000137; BSPBio_002203; KBioGR_001085; KBioSS_001442; MLS001146895; BIDD:GT0063; DivK1c_000938; SPECTRUM1500245; SPBio_001163; SPBio_002058; Diflunisal, analytical standard; 2',4'-difluoro-4-hydroxy-biphenyl-3-carboxylic acid; BPBio1_000151; GTPL7162; DTXSID5022932; CTK1A3255; HMS502O20; KBio1_000938; KBio2_001442; KBio2_004010; KBio2_006578; KBio3_001423; ZINC20243; NINDS_000938; 2',4'-Difluoro-4-hydroxy[1,1'-biphenyl]-3-carboxylic acid; HMS1568G19; HMS1920G10; HMS2090C16; HMS2091M20; HMS2095G19; HMS3259G17; HMS3712G19; Pharmakon1600-01500245; BCP09905; KS-00000KD6; ZX-AH027458; ZX-AP008530; Tox21_110598; BDBM50240510; CCG-40230; NSC756728; s4609; SBB058143; AKOS005762917; Tox21_110598_1; API0002353; DB00861; KS-1346; MCULE-8281018918; NC00506; NSC-756728; PC11123; TRA0051767; IDI1_000938; SEL14865206; NCGC00016765-02; NCGC00016765-03; NCGC00016765-04; NCGC00016765-05; NCGC00016765-06; NCGC00016765-09; NCGC00022783-03; NCGC00022783-04; CC-26785; CPD000058723; H776; HY-18342; LS-44258; SAM002554896; SC-13811; SBI-0051347.P003; AB0013252; AX8003209; DB-045934; AB00051969; CS-0007468; FT-0630487; ST24046572; ST51014978; C01691; D00130; J10103; AB00051969-12; AB00051969_13; A816230; C-15398; 2',4'-difluoro-4-hydroxybipheny-3-carboxylic acid; J-014739; Q2602750; SR-01000003165-2; SR-01000003165-3; 5-[2,4-bis(fluoranyl)phenyl]-2-oxidanyl-benzoic acid; BRD-K22031190-001-05-3; BRD-K22031190-001-13-7; Diflunisal, European Pharmacopoeia (EP) Reference Standard; [1,1'-Biphenyl]-3-carboxylicacid, 2',4'-difluoro-4-hydroxy-; 2',4'-Difluoro-4-hydroxy-(1',1-diphenyl)-3-carboxylic acid; Diflunisal, United States Pharmacopeia (USP) Reference Standard; 1286107-99-0",
"trade_name": "Dolobid",
"abbrev_name": "",
"description": "nonsteroidal anti-inflammatory agent (NSAIA) ; salicylate derivative",
"molecular_formula": "C13H8F2O3",
"molecular_weight": "250.2",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "The drug is excreted in the urine as two soluble glucuronide conjugates accounting for about 90% of the administered dose. Little or no diflunisal is excreted in the feces.",
"protein_binding": "At least 98 to 99% of diflunisal in plasma is bound to proteins.",
"half_life": "8 to 12 hours",
"absorption": "Rapidly and completely absorbed following oral administration, with a bioavailability of 80-90%. Peak plasma concentrations are achieved 2 - 3 hours following oral administration.",
"cid": "3059",
"classification": "N",
"indications": "Arthritis; Osteoarthritis; Pain; Rheumatoid arthritis",
"side_effects": "",
"atc_codes": "N02BA11",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T002",
"T408"
],
"function": [
"F01",
"F0105",
"F010502",
"F0108",
"F0201",
"F02010102",
"F02010103",
"F02010202",
"F02040101",
"F0206",
"F0221",
"F0303",
"F0504",
"F070105",
"F070106"
],
"references": [
"RC00540",
"RC00541",
"RC00982",
"RC03804",
"RC04053",
"RC04177",
"RC04301",
"RC04425",
"RC04549",
"RC04771",
"RC04784",
"RC04797",
"RC04810",
"RC04823",
"RC04836",
"RC04849",
"RC04862"
]
},
{
"compound_ID": "D0041",
"name": "Disopyramide",
"synonyms": "disopyramide; 3737-09-5; Dicorantil; Rythmodan; Disopiramida; Ritmodan; Disopyramidum; Searle 703; Disopyramidum [INN-Latin]; Disopiramida [INN-Spanish]; Disopyramide Free Base; SC 7031; SC-7031; gamma-Diisopropylamino-alpha-phenyl-alpha-(2-pyridyl)butyramide; alpha-Diisopropylaminoethyl-alpha-phenylpyridine-2-acetamide; H 3292; CHEMBL517; alpha-(2-(Diisopropylamino)ethyl)-alpha-phenyl-2-pyridineacetamide; CHEBI:4657; UVTNFZQICZKOEM-UHFFFAOYSA-N; EINECS 223-110-2; 4-(diisopropylamino)-2-phenyl-2-pyridin-2-ylbutanamide; NCGC00015358-18; 4-[di(propan-2-yl)amino]-2-phenyl-2-pyridin-2-ylbutanamide; Isorythm; Lispine; 2-Pyridineacetamide, alpha-(2-(bis(1-methylethyl)amino)ethyl)-alpha-phenyl-; DSSTox_CID_25536; DSSTox_RID_80938; DSSTox_GSID_45536; 4-(diisopropylamino)-2-phenyl-2-(pyridin-2-yl)butanamide; 4-[bis(propan-2-yl)amino]-2-phenyl-2-(pyridin-2-yl)butanamide; 2-Pyridineacetamide, alpha-(2-(diisopropylamino)ethyl)-alpha-phenyl-; 2-Pyridineacetamide, .alpha.-[2-[bis(1-methylethyl)amino]ethyl]-.alpha.-phenyl-; CAS-3737-09-5; Rythmodan P (TN); SR-01000003039; NCGC00016985-01; Prestwick_681; Disopyramide [USAN:BAN:INN:JAN]; Lispine|||Ritmilen; Norpace (Salt/Mix); Spectrum_001008; Prestwick0_000266; Prestwick1_000266; Prestwick2_000266; Prestwick3_000266; Spectrum2_001033; Spectrum3_000404; Spectrum4_000524; Spectrum5_000943; D 7644; Lopac0_000402; Lopac0_000411; SCHEMBL16153; BSPBio_000112; BSPBio_001928; KBioGR_001127; KBioSS_001488; MLS002222242; DivK1c_000489; SPBio_001245; SPBio_002331; BPBio1_000124; GTPL7167; SC 13957 (Salt/Mix); DTXSID1045536; CTK1H1096; KBio1_000489; KBio2_001488; KBio2_004056; KBio2_006624; KBio3_001148; Disopyramide (JP17/USAN/INN); NINDS_000489; HMS1568F14; HMS2095F14; HMS2234G08; HMS3261A06; HMS3369O21; HMS3712F14; Disopyramide [USAN:INN:BAN:JAN]; Disopyramide 1.0 mg/ml in Methanol; Tox21_110727; Tox21_500402; BDBM50028893; MFCD00029934; MFCD00057366; AKOS015894712; Tox21_110727_1; CCG-204495; DB00280; LP00402; MCULE-8866988334; IDI1_000489; NCGC00015358-04; NCGC00015358-05; NCGC00015358-06; NCGC00015358-08; NCGC00015358-09; NCGC00015358-10; NCGC00015358-11; NCGC00015358-12; NCGC00015358-13; NCGC00015358-14; NCGC00015358-15; NCGC00015358-19; NCGC00093829-01; NCGC00093829-02; NCGC00093829-03; NCGC00261087-01; AC-16018; AK688967; SMR001307254; SBI-0050388.P005; LS-185086; AB00053462; D2793; EU-0100402; FT-0667714; ST50411970; Y5028; C06965; D00303; 20509-EP2272972A1; 20509-EP2272973A1; 20509-EP2277872A1; 20509-EP2314585A1; AB00053462_16; AB00053462_17; C-44340; Q425120; SR-01000003039-3; 4-Diisopropylamino-2-phenyl-2-(2-pyridyl)-butyramide; BRD-A29734509-001-03-8; BRD-A29734509-011-02-9; BRD-A29734509-011-06-0; SR-01000003039-10; 4-(Diisopropylamino)-2-phenyl-2-(2-pyridinyl)butanamide; 4-(Diisopropylamino)-2-phenyl-2-(2-pyridyl)butyramide; Z2786051711; 4-(Diisopropylamino)-2-phenyl-2-(2-pyridinyl)butanamide #; 4-[bis(methylethyl)amino]-2-phenyl-2-(2-pyridyl)butanamide; Disopyramide, European Pharmacopoeia (EP) Reference Standard; .alpha.-(2-(Diisopropylamino)ethyl)-.alpha.-phenyl-2-pyridineacetamide; .gamma.-Diisopropylamino-.alpha.-phenyl-.alpha.-(2-pyridyl)butyramide; 2-Pyridineacetamide, .alpha.-[2-(diisopropylamino)ethyl]-.alpha.-phenyl-; 4-[bis(propan-2-yl)amino]-2-phenyl-2-(pyridin-2-yl)butanimidic acid; racemic 2-phenyl-2-(2-pyridyl)-4-[N,N-bis(1-methylethyl)amino]butanamide",
"trade_name": "Norpace,Rythmodan",
"abbrev_name": "",
"description": "class I anti-arrhythmic agent",
"molecular_formula": "C21H29N3O",
"molecular_weight": "339.5",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "In healthy men, about 50% of a given dose of disopyramide is excreted in the urine as the unchanged drug, about 20% as the mono-N-dealkylated metabolite and 10% as the other metabolites.",
"protein_binding": "50%-65%",
"half_life": "6.7 hours (range 4-10 hours)",
"absorption": "Nearly complete",
"cid": "3114",
"classification": "C",
"indications": "Acute coronary syndrome; Agitation; Atrioventricular block complete; Atrioventricular block first degree; Bundle branch block; Bundle branch block left; Bundle branch block right; Cardiac disorder; Cardiac failure; Cardiomyopathy; Conduction disorder; Depressed mood; Electrocardiogram QT prolonged; Glaucoma; Hepatic failure; Hypersensitivity; Infarction; Ischaemia; Liver disorder; Myocardial infarction; Renal impairment; Shock; Sinus arrhythmia; Sudden death; Ventricular arrhythmia; Ventricular tachycardia",
"side_effects": "Constipation (0.11); Urinary hesitation (0.14)",
"atc_codes": "C01BA03",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0042",
"name": "Dofetilide",
"synonyms": "Dofetilide; 115256-11-6; Tikosyn; Dofetilida; Dofetilidum; Dofetilidum [INN-Latin]; Dofetilida [INN-Spanish]; UK 68798; UK-68798; Dofetilide (Tikosyn); UK-68,798; UNII-R4Z9X1N2ND; Dofetilide(Tikosyn); UK 68,798; C19H27N3O5S2; beta-((p-Methanesulfonamidophenethyl)methylamino)methanesulfono-p-phenetidide; CHEMBL473; R4Z9X1N2ND; CHEBI:4681; 1-(4-Methanesulphonamidophenoxy)-2-[N-(4-methanesulphonamidophenethyl)-N-methylamino]ethane; N-[4-[2-[Methyl[2-[4-[(methylsulfonyl)amino]phenoxy]ethyl]amino]ethyl]phenyl]methanesulfonamide; NCGC00164549-01; DSSTox_CID_26433; DSSTox_RID_81610; N-(4-(2-(methyl(2-(4-(methylsulfonamido)phenoxy)ethyl)amino)ethyl)phenyl)methanesulfonamide; DSSTox_GSID_46433; Xelide; 1-MSPMPE; Methanesulfonamide, N-(4-(2-(methyl(2-(4-((methylsulfonyl)amino)phenoxy)ethyl)amino)ethyl)phenyl)-; N-(4-{2-[methyl(2-{4-[(methylsulfonyl)amino]phenoxy}ethyl)amino]ethyl}phenyl)methanesulfonamide; SMR000466333; Tikosyn (TN); Dofetilide [USAN:BAN:INN]; CAS-115256-11-6; Dofetilide (JAN/USAN/INN); N-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethyl-methylamino]ethyl]phenyl]methanesulfonamide; HSDB 7927; Dofetilide [USAN:USP:INN:BAN]; Methanesulfonamide, N-[4-[2-[methyl[2-[4-[(methylsulfonyl)amino]phenoxy]ethyl]amino]ethyl]phenyl]-; UK68798; Tikosyn;UK68798; UK 68789; 1-(4-methanesulfonamidophenoxy)-2-(N-(4-methanesulfonamidophenethyl)-N-methylamine)ethane; SCHEMBL16135; MLS000759442; MLS001424185; MLS006010154; GTPL2604; Dofetilide, >=98% (HPLC); DTXSID5046433; CTK8F9356; KS-00000XNN; IXTMWRCNAAVVAI-UHFFFAOYSA-N; HMS2051N14; HMS2089F03; HMS2232H19; HMS3261G03; HMS3370B18; HMS3393N14; HMS3655A17; HMS3715H20; ZINC596731; ACT04222; BCP04770; HY-B0232; Tox21_112178; Tox21_500351; AC-385; BDBM50031720; MFCD00869707; s1658; AKOS005259921; Tox21_112178_1; API0002471; BCP9000619; CCG-101037; CS-2200; DB00204; NC00287; MRF-0000317; NCGC00164549-02; NCGC00261036-01; AK161932; CC-27363; CPD000466333; I881; LS-90151; Methanesulfonamide, N-(4-(2-(methyl(2-(4-((methylsulfonyl)amino)phenoxy)ethyl)amino)ethyl)phenyl); SAM001246621; SC-76467; BCP0726000009; ZINC000000596731; AB0004775; AB2000201; DB-041252; FT-0631076; ST24046670; SW197667-2; A10328; C07751; D00647; AB00639976-06; AB00639976-08; AB00639976_09; 256D116; A803396; C-22372; SR-01000759368; J-003271; Q3712521; SR-01000759368-4; BRD-K86887724-001-05-6; Dofetilide, United States Pharmacopeia (USP) Reference Standard; 1-(4-Methansulphonamidophenoxy)-2-[N-(4-methanesulphonamidophenethyl)-N-methylamino]ethane; N-[4-[2-[2-(4-methanesulfonamidophenyl)ethyl-methylamino]ethoxy]phenyl]methanesulfonamide; (Dofetilide) N-[4-(2-{[2-(4-Methanesulfonylamino-phenyl)-ethyl]-methylamino}-ethoxy)-phenyl]-methanesulfonamide; N-[4-(2-{[2-(4-methanesulfonamidophenoxy)ethyl](methyl)amino}ethyl)phenyl]methanesulfonamide; N-[4-(2-{[2-(4-methanesulfonylamino-phenoxy)-ethyl]-methyl-amino}-ethyl)-phenyl]-methanesulfonamide; N-[4-(2-{[2-(4-Methanesulfonylamino-phenyl)-ethyl]-methyl-amino}-ethoxy)-phenyl]-methanesulfonamide (dofetilide); N-[4-(2-{[2-(4-Methanesulfonylamino-phenyl)-ethyl]-methyl-amino}-ethoxy)-phenyl]-methanesulfonamide (UK-68798); N-[4-(2-{[2-(4-METHANESULFONYLAMINO-PHENYL)-ETHYL]-METHYL-AMINO}-ETHOXY)-PHENYL]-METHANESULFONAMIDE DOFETILIDE; N-[4-(2-{2-[4-(methanesulphonamido)phenoxyl]-N-methylethylamino}ethyl)phenyl]-methanesulphonamide; N-[4-[2-[methyl-[2-[4-(methylsulfonylamino)phenoxy]ethyl]amino]ethyl]phenyl]methanesulfonamide",
"trade_name": "Tikosyn",
"abbrev_name": "",
"description": "class III antiarrhythmic agent",
"molecular_formula": "C19H27N3O5S2",
"molecular_weight": "441.6",
"state": "solid",
"clearance": "",
"volume_of_distribution": "* 3 L/kg",
"route_of_elimination": "",
"protein_binding": "60% -70%",
"half_life": "10 hours",
"absorption": ">90%",
"cid": "71329",
"classification": "C",
"indications": "Arrhythmia supraventricular; Atrial fibrillation; Atrial flutter; Cardiac disorder; Cardiac flutter; Sinus rhythm; Ventricular arrhythmia",
"side_effects": "Abdominal pain; Atrioventricular block; Back pain; Bundle branch block; Chest pain; Dermatitis; Diarrhoea; Dizziness; Dyspnoea; Gastrointestinal pain; Headache; Influenza; Injury; Insomnia; Nausea; Rash; Respiratory tract infection; Torsade de pointes; Ventricular arrhythmia; Ventricular fibrillation; Ventricular tachycardia",
"atc_codes": "C01BD04",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0043",
"name": "Doxorubicin",
"synonyms": "doxorubicin; Adriamycin; 23214-92-8; Doxil; Adriablastin; Doxorubicine; Adriblastina; Doxorubicinum; 14-Hydroxydaunomycin; 14-Hydroxydaunorubicine; Adriamycin semiquinone; Doxorubicine [INN-French]; Doxorubicinum [INN-Latin]; Doxorubicina [INN-Spanish]; FI 106; Doxorubicin [USAN:INN:BAN]; Hydroxydaunorubicin; CCRIS 739; HSDB 3070; NDC 38242-874; NCI-C01514; UNII-80168379AG; EINECS 245-495-6; CHEMBL53463; Doxorubicina; CHEBI:28748; 5,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S-cis)-; 80168379AG; ADM; (1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside; (1S,3S)-3-Glycoloyl-1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1-naphthacenyl-(3-amino-2,3,6-tridesoxy-alpha-L-lyxo-hexopyranosid); (8S,10S)-10-((3-Amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-8-glycoloyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione; 1,2,3,4,6,11-Hexahydro-4beta,5,12-trihydroxy-4-(hydroxyacetyl)-10-methoxy-6,11-dioxonaphthacen-1beta-yl-3-amino-2,3,6-trideoxy-alpha-L-lyxohexopyranoside; 10-((3-Amino-2,3,6-trideoxy-D-lyxohexopyranosyl)oxy)-8-glycolcyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione; DOX-SL; ThermoDox; Adriblas tina; DOX; MLS000028393; Doxorubicin-hLL1; (1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-(methyloxy)-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside; (1S,3S)-3-glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside; (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione; (8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione; Adriblastina (TN); Aerosolized Doxorubicin; Doxorubicin-P4/D10; Doxorubicin (USAN/INN); Doxorubicin-hLL1 conjugate; Rubex (hydrochloride salt); Adriacin (hydrochloride salt); Doxorubicin-P4/D10 conjugate; TLC D-99; adiblastine (hydrochloride salt); adriblatina (hydrochloride salt); adriablatina (hydrochloride salt); Adriblastina (hydrochloride salt); adriablastine (hydrochloride salt); Farmablastina (hydrochloride salt); adr iablatina (hydrochloride salt); Adriamycin PFS (hydrochloride salt); Adriamycin RDF (hydrochloride salt); (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride; Prestwick0_000438; Prestwick1_000438; Prestwick2_000438; Prestwick3_000438; ADR; Doxorubicin hydrochloride (hydrochloride salt); Probes1_000151; Probes2_000129; SCHEMBL3243; BSPBio_000456; BSPBio_001031; Hydroxydaunomycin hydrochloride (hydrochloride salt); Caelyx (liposomal doxorubicin); Hydroxydaunomycin hydrochlor ide (hydrochloride salt); SPBio_002395; BPBio1_000502; cid_443939; GTPL7069; Hydroxydaunorubicin hydrochloride (hydrochloride salt); DTXSID8021480; BDBM22984; BDBM32022; AOJJSUZBOXZQNB-TZSSRYMLSA-N; HMS2089H06; ZINC3918087; GR-319; HY-15142A; LMPK13050001; AKOS015951330; Conjugate of doxorubicin with humanized monoclonal antibody LL1 against CD74; Conjugate of doxorubicin with monoclonal antibody P4/D10 against GP120; CS-2759; DB00997; MCULE-4188577717; SB21799; SMP1_000106; NCGC00024415-35; NCGC00024415-37; NCGC00024415-38; NCGC00024415-40; NCGC00024415-41; NCGC00024415-42; BP-23114; CC-23807; AB1009243; LS-165655; FT-0601614; 14D928; A14403; C01661; D03899; Q18936; 10336-EP2270008A1; 10336-EP2270014A1; 10336-EP2270018A1; 10336-EP2270505A1; 10336-EP2272827A1; 10336-EP2272832A1; 10336-EP2275420A1; 10336-EP2277565A2; 10336-EP2277566A2; 10336-EP2277567A1; 10336-EP2277568A2; 10336-EP2277569A2; 10336-EP2277570A2; 10336-EP2277865A1; 10336-EP2277876A1; 10336-EP2280012A2; 10336-EP2281815A1; 10336-EP2289892A1; 10336-EP2292280A1; 10336-EP2292614A1; 10336-EP2292615A1; 10336-EP2292617A1; 10336-EP2295055A2; 10336-EP2295416A2; 10336-EP2295426A1; 10336-EP2295427A1; 10336-EP2298748A2; 10336-EP2298764A1; 10336-EP2298765A1; 10336-EP2298768A1; 10336-EP2298778A1; 10336-EP2298780A1; 10336-EP2301536A1; 10336-EP2301538A1; 10336-EP2301928A1; 10336-EP2301933A1; 10336-EP2302382A2; 10336-EP2302383A2; 10336-EP2305243A1; 10336-EP2305250A1; 10336-EP2305640A2; 10336-EP2305642A2; 10336-EP2305671A1; 10336-EP2305679A1; 10336-EP2305689A1; 10336-EP2308562A2; 10336-EP2308812A2; 10336-EP2308833A2; 10336-EP2308855A1; 10336-EP2308861A1; 10336-EP2311453A1; 10336-EP2311455A1; 10336-EP2311808A1; 10336-EP2311825A1; 10336-EP2311827A1; 10336-EP2311829A1; 10336-EP2311840A1; 10336-EP2311842A2; 10336-EP2316452A1; 10336-EP2316832A1; 10336-EP2316833A1; 10336-EP2316834A1; 10336-EP2371811A2; 10336-EP2374454A1; 13171-EP2269989A1; 13171-EP2269994A1; 13171-EP2270008A1; 13171-EP2270018A1; 13171-EP2270505A1; 13171-EP2275102A1; 13171-EP2277865A1; 13171-EP2277876A1; 13171-EP2281815A1; 13171-EP2286812A1; 13171-EP2289892A1; 13171-EP2292227A2; 13171-EP2292233A2; 13171-EP2292614A1; 13171-EP2292615A1; 13171-EP2292617A1; 13171-EP2295407A1; 13171-EP2295412A1; 13171-EP2295413A1; 13171-EP2295416A2; 13171-EP2298305A1; 13171-EP2298736A1; 13171-EP2298746A1; 13171-EP2298748A2; 13171-EP2298768A1; 13171-EP2298772A1; 13171-EP2298780A1; 13171-EP2301933A1; 13171-EP2305640A2; 13171-EP2305642A2; 13171-EP2305671A1; 13171-EP2305679A1; 13171-EP2305689A1; 13171-EP2308833A2; 13171-EP2308839A1; 13171-EP2308861A1; 13171-EP2311827A1; 13171-EP2316832A1; 13171-EP2316833A1; 13171-EP2316834A1; 13171-EP2316937A1; 45970-EP2275413A1; 45970-EP2287156A1; 45970-EP2311807A1; C-23275; BRD-K92093830-003-04-3; BRD-K92093830-003-25-8; (1s,3s)-3,5,12-Trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-l-lyxo-hexopyranoside; Adriamycin; Doxorubicin; (7S,9R)-7-[(2S,4S,5S,6S)-4-Amino-5-hydroxy-6-methyl-oxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione; (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-9-glycoloyl-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-quinone;hydrochloride; (7S,9S)-7-[(2R,4S,5S,6S)-4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl]oxy-4-methoxy-6,9,11-tris(oxidanyl)-9-(2-oxidanylethanoyl)-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride; (7S,9S)-7-[[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-2-oxanyl]oxy]-6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride; (8S,10S)-10-(((2R,4S,5S,6S)-4-Amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-7,8,9,10-tetrahydrotetracen; (8S,10S)-10-(((2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione; (8S,10S)-10-((2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yloxy)-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione; (8S-cis)-10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione; (8S-cis)-10-(3-Amino-2,3,6-Tr ideoxy-alpha-L-Lyxo-Hexopyranosyl)Oxy-7,8,9,10-Tetrahydro-6,8,11-Trihydroxy-8-(Hydroxyacetyl)-1-Methoxy-5,12-Naphthacenedione; (8S-cis)-10-(3-Amino-2,3,6-Trideoxy-alpha-L-Lyxo-Hexopyranosyl)Oxy-7,8,9,10-Tetrahydro-6,8,11-Trihydroxy-8-(Hydroxyacetyl)-1-Methoxy-5,12-Naphthacenedione; (8S-cis)-10-[(3-Amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione; 10-((3-Amino-2,3,6-trideoxy-alpha-L-lyso-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione; 5,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S,10S)-; 5,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-, (8S,10S)-",
"trade_name": "Adriamycin, Caelyx, Myoce",
"abbrev_name": "DXR",
"description": "cytotoxic anthracycline antibiotics; chemotherapy agent; Anticancer",
"molecular_formula": "C27H29NO11",
"molecular_weight": "543.5",
"state": "solid",
"clearance": "* 324-809 mL/min/m2 [by metabolism and biliary excretion] \n* 1088 mL/min/m2 [Men]\n* 433 mL/min/m2 [Women]\n* 1540 mL/min/m2 [children greater than 2 years of age receiving administration of 10 to 75 mg/m2 doses]\n* 813 mL/min/m2 [infants younger than 2 years of age receiving administration of 10 to 75 mg/m2 doses]",
"volume_of_distribution": "The distributive half-life is 5 minutes, which suggests that doxorubicin is rapidly taken up by tissue. \nSteady state volume of distribution = 809 to 1214 L/m2",
"route_of_elimination": "40% of the dose appears in bile in 5 days. 5-12% of the drug and its metabolites appears in urine during the same time period. <3% of the dose recovered in urine was doxorubicinol.",
"protein_binding": "Doxorubicin and its major metabolite, doxorubicinol, is 74-76% bound to plasma protein. The extent to binding is independent of plasma concentration up to 1.1 mcg/mL. Doxorubicin does not cross the blood brain barrier.",
"half_life": "Terminal half life = 20 - 48 hours.",
"absorption": "",
"cid": "31703",
"classification": "L",
"indications": "Acquired immunodeficiency syndrome; Acute lymphocytic leukaemia; Acute myeloid leukaemia; Adenocarcinoma gastric; Autoimmune disorder; Bladder cancer stage IV; Bladder neoplasm; Bladder transitional cell carcinoma; Bladder transitional cell carcinoma metastatic; Bone sarcoma; Brain neoplasm; Breast cancer stage IV; Bronchial carcinoma; Cardiac disorder; Cardiotoxicity; Drug interaction; Endometrial cancer; Ewing's sarcoma; Gastric cancer; Hepatic cancer; Hepatic cancer metastatic; Hepatic function abnormal; Hepatocellular carcinoma; Hodgkin's disease; Hodgkin's disease lymphocyte depletion type stage unspecified; Hodgkin's disease lymphocyte predominance type stage unspecified; Hypersensitivity; Immunodeficiency; Kaposi's sarcoma; Kaposi's sarcoma AIDS related; Leukaemia; Lung neoplasm malignant; Lymphoma; Malaise; Malignant melanoma; Menopause; Metastases to liver; Metastasis; Metastatic neoplasm; Nephroblastoma; Neuroblastoma; Non-small cell lung cancer; Osteosarcoma; Ovarian epithelial cancer; Ovarian epithelial cancer stage IV; Pancreatic carcinoma; Plasma cell myeloma; Plasmacytoma; Renal cancer; Rhabdomyosarcoma; Sarcoma; Small cell lung cancer; Squamous cell carcinoma; Testis cancer; Thymoma; Thyroid cancer",
"side_effects": "Breast disorder (0.01); Somnolence (0.051); Abdominal pain; Alopecia; Amenorrhoea; Anaemia; Asthenia; Back pain; Body temperature increased; Candida infection; Chills; Conjunctivitis; Constipation; Cough; Decreased appetite; Dermatitis; Diarrhoea; Discomfort; Dizziness; Dry skin; Dysaesthesia; Dyspepsia; Dyspnoea; Fatigue; Febrile neutropenia; Feeling abnormal; Flushing; Gastrointestinal pain; Headache; Herpes simplex; Herpes zoster; Hot flush; Hypochromic anaemia; Ill-defined disorder; Infection; Keratitis; Laboratory test abnormal; Lethargy; Leukaemia; Leukopenia; Malaise; Menopausal symptoms; Mucosal inflammation; Mucous membrane disorder; Nausea; Neuralgia; Neuritis; Neuropathy peripheral; Neutropenia; Oral candidiasis; Pain; Paraesthesia; Pharyngitis; Phlebitis; Rash; Sepsis; Shock; Stomatitis; Thrombocytopenia; Vomiting; Weight decreased",
"atc_codes": "L01DB01",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T002",
"T181",
"T408"
],
"function": [
"F0108",
"F0109",
"F0201",
"F020103",
"F020403",
"F0214",
"F0303",
"F0308",
"F05",
"F0504"
],
"references": [
"RC01003",
"RC03468",
"RC03634",
"RC03635",
"RC03671",
"RC03702",
"RC03796",
"RC04056",
"RC04180",
"RC04304",
"RC04428",
"RC04552",
"RC04927"
]
},
{
"compound_ID": "D0044",
"name": "Droperidol",
"synonyms": "droperidol; 548-73-2; Droleptan; Dehydrobenzperidol; Inapsine; Dridol; Properidol; Sintodril; Sintosian; Inapsin; Vetkalm; Halkan; Deidrobenzperidolo; DHBP; Inopsin; Innovar; Droperidolum; Inappin; Innovan; McN-JR-4749; Inoval; Dehidrobenzperidol; Droperidolo; Thalamanol; Dihidrobenzperidol; Dehydrobenzoperidol; Droperidolo [DCIT]; R-4749; McN-JR 4749; Droperidolum [INN-Latin]; component of Innovar; R 4749; NSC 169874; UNII-O9U0F09D5X; CCRIS 9070; C22H22FN3O2; HSDB 3320; R4749; 1-(1-(3-(p-Fluorobenzoyl)propyl)-1,2,3,6-tetrahydro-4-pyridyl)-2-benzimidazolinone; 1-(1-(4-(p-Fluorophenyl)-4-oxobutyl)-1,2,3,6-tetrahydro-4-pyridyl)-2-benzimidazolinone; EINECS 208-957-8; BRN 0579168; CHEMBL1108; 1-[1-[3-(p-Fluorobenzoyl)propyl]-1,2,3,6-tetrahydro-4-pyridyl]-2-benzimidazolinone; 3-[1-[4-(4-fluorophenyl)-4-oxobutyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazol-2-one; MLS000028671; CHEBI:4717; O9U0F09D5X; 1-{1-[4-(4-fluorophenyl)-4-oxobutyl]-1,2,3,6-tetrahydropyridin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one; 2H-Benzimidazol-2-one, 1-[1-[4-(4-fluorophenyl)-4-oxobutyl]-1,2,3,6-tetrahydro-4-pyridinyl]-1,3-dihydro-; RMEDXOLNCUSCGS-UHFFFAOYSA-N; NSC169874; 2H-Benzimidazol-2-one, 1-(1-(4-(4-fluorophenyl)-4-oxobutyl)-1,2,3,6-tetrahydro-4-pyridinyl)-1,3-dihydro-; NCGC00016504-01; CAS-548-73-2; SMR000058855; DSSTox_CID_2973; DSSTox_RID_76811; DSSTox_GSID_22973; 1-{1-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-1,2,3,6-tetrahydro-pyridin-4-yl}-1,3-dihydro-benzoimidazol-2-one; W-105600; Neurolidol; Ina.psi.ne; Ina.psi.n; Ino.psi.n; 1-[1-[4-(p-Fluorophenyl)-4-oxobutyl]-1,2,3,6-tetrahydro-4-pyridyl]-2-benzimidazolinone; 2-Benzimidazolinone, 1-(1-(3-(p-fluorobenzoyl)propyl)-1,2,3,6-tetrahydro-4-pyridyl)-; 2-Benzimidazolinone, 1-[1-[3-(p-fluorobenzoyl)propyl]-1,2,3,6-tetrahydro-4-pyridyl]-; Droleptan (TN); 1-(1-(4-(4-Fluorophenyl)-4-oxobutyl)-1,2,3,6-tetrahydro-4-pyridinyl)-1,3-dihydro-2H-benzimidazol-2-one; 1-(1-(4-(4-fluorophenyl)-4-oxobutyl)-1,2,3,6-tetrahydropyridin-4-yl)-1,3-dihydro-2H-benzo[d]imidazol-2-one; 1-(1-(4-(4-fluorophenyl)-4-oxobutyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-benzo[d]imidazol-2(3H)-one; 1-{1-[4-(4-fluorophenyl)-4-oxobutyl]-1,2,3,6-tetrahydro-4-pyridinyl}-2,3-dihydro-1H-benzo[d]imidazol-2-one; Droperidol [USAN:INN:BAN:JAN]; SR-05000001546; INAPSINE (TN); Droperidol USP; 1-(1-[3-(p-fluorobenzoyl)propyl]-1,2,3,6-tetrahydro-4-pyridyl)-2-benzimidazolinone; 1-[1-[4-(4-fluorophenyl)-4-oxobutyl]-1,2,3,6-tetrahydro-4-pyridinyl]-1,3-dihydro-2h-benzimidazol-2-one; Prestwick_705; Innovar (Salt/Mix); Droperidol [USAN:USP:INN:BAN:JAN]; HS-0065; Leptanal (Salt/Mix); Leptofen (Salt/Mix); Spectrum_001220; Thalamonal (Salt/Mix); Innovar-vet (Salt/Mix); Opera_ID_1751; Prestwick0_000360; Prestwick1_000360; Prestwick2_000360; Prestwick3_000360; Spectrum2_001386; Spectrum3_001426; Spectrum4_000407; Spectrum5_001305; SCHEMBL41426; BSPBio_000459; BSPBio_003132; KBioGR_000674; KBioSS_001700; 5-24-02-00388 (Beilstein Handbook Reference); MLS000758203; MLS001148120; MLS001424134; MLS002153445; DivK1c_000103; SPECTRUM1501002; SPBio_001372; SPBio_002380; BPBio1_000505; Droperidol (JP17/USP/INN); GTPL7172; DTXSID6022973; CTK7B9727; CTK8F9380; HMS500F05; KBio1_000103; KBio2_001700; KBio2_004268; KBio2_006836; KBio3_002352; KS-00000XNO; NINDS_000103; HMS1569G21; HMS1921B03; HMS2051L06; HMS2092O16; HMS2096G21; HMS2232M09; HMS3374B05; HMS3393L06; HMS3652M12; HMS3713G21; Pharmakon1600-01501002; HY-B1240; Tox21_110461; BDBM50017705; CCG-39004; MFCD00083290; NSC757819; s4096; STL453109; ZINC19796080; AKOS015960779; Tox21_110461_1; AC-3537; CCG-101004; CS-4886; DB00450; NC00254; NSC-169874; NSC-757819; VA10777; 1-1-[3-(p-Fluorobenzoyl)propyl]-1,2,3,6-tetrahydro-4-pyridyl-2-benzimidazolinone; 3-[1-[4-(4-fluorophenyl)-4-oxo-butyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazol-2-one; IDI1_000103; NCGC00016504-02; NCGC00016504-03; NCGC00016504-04; NCGC00016504-05; NCGC00016504-06; NCGC00016504-09; NCGC00016504-17; NCGC00094884-01; NCGC00094884-02; CPD000058855; H920; LS-33253; SAM001247013; SBI-0051628.P002; Droperidol 1.0 mg/ml in Dimethyl Sulfoxide; AK00094085; FT-0655846; SW220019-1; D00308; AB00052191_04; AB00052191_05; WLN: T56 BMVNJ D3- DT6N CUTJ A3VR DF; 548D732; A830387; C-55183; L001006; Q174259; SR-05000001546-1; SR-05000001546-2; SR-05000001546-3; BRD-K97158071-001-05-8; BRD-K97158071-001-08-2; Droperidol, British Pharmacopoeia (BP) Reference Standard; Droperidol, European Pharmacopoeia (EP) Reference Standard; Droperidol, United States Pharmacopeia (USP) Reference Standard; 2H-Benzimidazol-2-one,2,3,6-tetrahydro-4-pyridinyl]-1,3-dihydro-; 1-[1-[3-(p-Fluorobenzoyl)propyl]-1,3,6-tetrahydro-4-pyridyl]-2-benzimidazolinone; 1-[1-[4-(p-Fluorophenyl)-4-oxobutyl]-1,3,6-tetrahydro-4-pyridyl]-2-benzimidazolinone; 1-1-[3-(p-Fluorobenzoyl)propyl]-1,3,6-tetrahydro-4-pyridyl-2-benzimidazolinone; 2H-Pyrrolo[3,2-b]pyridin-2-one, 1,3-dihydro-3-[(1-methyl-1H-indol-3-yl)methylene]-; gamma-[4-(2-oxo-1-benzimidazolinyl)-1,2,3,6-tetrahydro-1-pyridyl]-p-fluorobutyrophenone; 1-(4-fluorophenyl)-4-[4-(2-hydroxy-1H-1,3-benzodiazol-1-yl)-1,2,3,6-tetrahydropyridin-1-yl]butan-1-one; 1-(4-fluorophenyl)-4-[4-(2-hydroxy-1h-benzimidazol-1-yl)-3,6-dihydropyridin-1(2h)-yl]butan-1-one; 1-[1-[4-(4-fluorophenyl)-4-oxo-butyl]-3,6-dihydro-2H-pyridin-4-yl]-3H-benzoimidazol-2-one; 1-{1-[4-(4-Chloro-phenyl)-4-oxo-butyl]-1,2,3,6-tetrahydro-pyridin-4-yl}-1,3-dihydro-benzoimidazol-2-one(Droperidol); 1-{1-[4-(4-fluorophenyl)-4-oxobutyl]-1,2,3,6-tetrahydropyridin-4-yl}-2,3-dihydro-1H-1,3-benzodiazol-2-one; 1-{1-[4-(4-fluorophenyl)-4-oxobutyl]-1,2,5,6-tetrahydropyridin-4-yl] -1,3-dihydro-2H-benzimidazol}-2-one; 3-[1-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazol-2-one",
"trade_name": "Inapsine, Droleptan, Dridol, Xomolix, Innovar",
"abbrev_name": "",
"description": "Antiretroviral; butyrophenone; antidopaminergic drug used as an antiemetic and as an antipsychotic",
"molecular_formula": "C22H22FN3O2",
"molecular_weight": "379.4",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "Biphasic distribution. The rapid distribution phase is 1.4 ± 0.5 minutes and the slower distribution phase is 14.3 ± 6.5 minutes. Elimination half-life in adults is 134 ± 13 minutes and may be increased in geriatric patients. In children, it is 101.5 ± 26.4 minutes.",
"absorption": "Completely absorbed following intramuscular administration.",
"cid": "3168",
"classification": "N",
"indications": "Aggression; Anxiety; Bipolar disorder; Bipolar I disorder; Delirium; Hyperkinesia; Nausea; Pain; Psychotic disorder; Schizophreniform disorder; Shock; Vomiting",
"side_effects": "",
"atc_codes": "N01AX01; N05AD08",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0045",
"name": "Efavirenz",
"synonyms": "efavirenz; 154598-52-4; Sustiva; Stocrin; DMP-266; DMP 266; (4S)-6-Chloro-4-(cyclopropylethynyl)-1,4-dihydro-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one; EFV; UNII-JE6H2O27P8; L 743726; HSDB 7163; L-743726; L-743,726; (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE; (4S)-6-Chloro-4-(2-cyclopropylethynyl)-1,4-dihydro-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one; (4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one; (S)-6-Chloro-4-(cyclopropylethynyl)-1,4-dihydro-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one; JE6H2O27P8; CHEBI:119486; NSC742403; (4S)-6-chloro-4-(cyclopropylethynyl)-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazin-2-one; C14H9ClF3NO2; DSSTox_CID_26029; DSSTox_RID_81298; DSSTox_GSID_46029; (4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-2,4-dihydro-1H-3,1-benzoxazin-2-one; 2H-3,1-Benzoxazin-2-one, 6-chloro-4-(cyclopropylethynyl)-1,4-dihydro-4-(trifluoromethyl)-, (4S)-; Eravirenz; efavirenz, (S)-isomer; (S)-6-chloro-4-(cyclopropylethynyl)-4-(trifluoromethyl)-1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one; (S)-6-CHLORO-4-(CYCLOPROPYLETHYNYL)-4-(TRIFLUOROMETHYL)-1H-BENZO[D][1,3]OXAZIN-2(4H)-ONE; SMR000466351; Strocin (TM); Sustiva (TM); Sustiva (TN); CAS-154598-52-4; Efavirenz (JAN/INN); SR-01000759360; Efavirenz [USP:INN:BAN]; Efavirenzum; Met-SDF-1.beta. & Efavirenz; 1ikv; 1ikw; (S)-Efavirenz; NCGC00159337-02; Efavirenz, (S); Efavirenz & PLGA; Efavirenz & IFNL1; Efavirenz & IFNL2; Efavirenz & IFNL3; PubChem5812; Efavirenz & IL-29; DMP-266; Efavirenz; Efavirenz & IL-28A; Efavirenz & IL-28B; EFV & Interleukin 29; EFV & Interleukin 28A; EFV & Interleukin 28B; EFV & PLGA; EFV & IFNL1; EFV & IFNL2; EFV & IFNL3; EFV & Interferon lambda-1; EFV & Interferon lambda-2; EFV & Interferon lambda-3; Efavirenz & Interleukin 29; SCHEMBL37762; Efavirenz & Interleukin 28A; Efavirenz & Interleukin 28B; MLS000759465; MLS001424087; BIDD:GT0383; L-743725; BDBM2483; CHEMBL223228; EFV & IL-28A; EFV & IL-28B; DTXSID9046029; Efavirenz, >=98% (HPLC); CTK8E9137; Efavirenz & Interferon lambda-1; Efavirenz & Interferon lambda-2; Efavirenz & Interferon lambda-3; EFV & IL-29; KS-00000ZEH; KS-00002WWM; AOB2950; XPOQHMRABVBWPR-ZDUSSCGKSA-N; BCPP000245; HMS2051J08; HMS2090N16; HMS3393J08; HMS3713M14; Met-Stromal Cell-derived Factor-1.beta. (Human) & Efavirenz; BCP27719; ZINC2020233; Tox21_111582; DL-535; GP6354; MFCD05662344; s4685; AKOS015894951; Efavirenz & Poly-lactide-co-glycolide; Tox21_111582_1; AB21723; API0002525; BCP9000636; CCG-101011; CS-2154; DB00625; KS-5380; NC00261; NSC-742403; RTX-012332; (s)-6-chloro-4-cyclopropylethynyl-4-trifluoromethyl-1,4-dihydro-2H-3,1-benzoxazin-2-one; (S)-6-Chloro-4-cyclopropylethynyl-4-trifluoromethyl-1,4-dihydro-benzo[d][1,3]oxazin-2-one; NCGC00159337-04; NCGC00271713-05; 6-chloro-4-(2-cyclopropyl-1-ethynyl)-4-trifluoromethyl-(4S)-1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one; AC-25006; ACM154801748; AK323634; CC-27439; CPD000466351; HY-10572; SAM001246667; SC-46515; LS-173464; E0997; FT-0625647; C08088; D00896; AB00639956-06; AB00639956-08; 598E524; A809555; C-19450; Q422645; J-520431; SR-01000759360-4; SR-01000759360-5; Z2186909878; Efavirenz, United States Pharmacopeia (USP) Reference Standard; Efavirenz solution, 1.0 mg/mL in acetonitrile, certified reference material; (4S)-6-chloranyl-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one; 2H-3, 6-chloro-4-(cyclopropylethynyl)-1,4-dihydro-4-(trifluoromethyl)-, (4S)-; (S)-6-Chloro-4-(cyclopropyl-ethynyl)-1,4-dihydro-4-(trifluoromethyl)-2H-3,1-benzoxazine-2-one; (S)-6-chloro-4-(cyclopropylethynyl)-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-ben zoxazin-2-one; (S)-6-chloro-4-(cyclopropylethynyl)-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazin-2-one",
"trade_name": "Sustiva, Stocrin",
"abbrev_name": "EFV",
"description": "non-nucleoside reverse transcriptase inhibitor (NNRTI); antiretroviral agent",
"molecular_formula": "C14H9ClF3NO2",
"molecular_weight": "315.67",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "Nearly all of the urinary excretion of the radiolabeled drug was in the form of metabolites.",
"protein_binding": "99.5-99.75%",
"half_life": "40-55 hours",
"absorption": "",
"cid": "64139",
"classification": "J",
"indications": "Carcinogenicity; Dermatitis; Drug interaction; Foetor hepaticus; Hepatitis B; Hepatocellular injury; HIV infection; Immunodeficiency; Infection; Liver disorder; Mental disorder; Pathogen resistance; Rash",
"side_effects": "Discomfort (0.14); Syncope (0.16); Abdominal pain; Abnormal dreams; Aggression; Anxiety; Asthenia; Body temperature increased; Cough; Decreased appetite; Depression; Dermatitis; Dermatitis exfoliative; Diarrhoea; Disturbance in attention; Dizziness; Dyspepsia; Erythema; Erythema multiforme; Fatigue; Flatulence; Gastrointestinal pain; Haematuria; Headache; Hyperhidrosis; Hypoaesthesia; Insomnia; Mental disability; Nausea; Necrosis; Nephrolithiasis; Nervousness; Pain; Pruritus; Rash; Somnolence; Stevens-Johnson syndrome; Suicidal ideation; Suicide attempt; Tension; Toxic epidermal necrolysis; Vomiting",
"atc_codes": "J05AR11; J05AG03; J05AR06",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0201",
"F0504"
],
"references": [
"RC03637",
"RC03638"
]
},
{
"compound_ID": "D0046",
"name": "Emtricitabine",
"synonyms": "Emtricitabine; 143491-57-0; Emtriva; Coviracil; (-)-FTC; Racivir; 4-amino-5-fluoro-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)pyrimidin-2(1H)-one; dOTFC; 524W91; BW-524W91; 2-FTC; BW524W91; 143491-54-7; (-)-2'-Deoxy-5-fluoro-3'-thiacytidine; UNII-G70B4ETF4S; DRG-0208; 2'-Deoxy-5-fluoro-3'-thiacytidine; BW 524W91; BW 1592; 2',3',5-FTC; CHEBI:31536; 3'-Thia-2'.3'-dideoxy-5-fluorocytidine; HSDB 7337; FTC-(-); 2'-Deoxy-5-fluoro-3'-oxa-4'-thiocytidine; 4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one; FTC, (-)-; G70B4ETF4S; 1-(2-(Hydroxymethyl)oxathiolan-5-yl)-5-fluorocytosine; FTC; (2R-cis)-4-Amino-5-fluoro-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-2(1H)-pyrimidinone; 4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2(1H)-one; Emtritabine; 5-Fluoro-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)cytosine; 5-Fluoro-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)cytosine; (-)-beta-2',3'-dideoxy-5-fluoro-3'-thiacytidine; 4-Amino-5-fluoro-1-((2R,5S)-rel-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)pyrimidin-2(1H)-one; 4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-1,2-dihydropyrimidin-2-one; 145213-48-5; 2',3'-Dideoxy-5-fluoro-3'-thiacytidine; NCGC00164564-01; 2(1H)-Pyrimidinone, 4-amino-5-fluoro-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-, cis-; C8H10FN3O3S; PSI 5004; Coviracil(TM); RCV; Emtriva(TM); 2(1H)-Pyrimidinone, 4-amino-5-fluoro-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-, rel-; 2(1H)-Pyrimidinone, 4-amino-5-fluoro-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-, (2R-cis)-; 2(1H)-Pyrimidinone, 4-amino-5-fluoro-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-, cis-(+-)-; SMR002533604; Emtricitabine [USAN:INN]; (-)-.beta.-L-FTC; Emtricitabin; Emtricitabina; Emtricitabinum; BW1592; 2(1H)-Pyrimidinone, 4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-, rel-; PSI-5004; CHEMBL885; (-)-cis-4-amino-5-fluoro-1-(2-hydroxymethyl-1,3-oxathiolan-5-yl)-(1H)-pyrimidin-2-one; DSSTox_CID_20129; DSSTox_RID_79445; DSSTox_GSID_40129; SCHEMBL39708; MLS003882429; MLS006011556; MLS006011987; DTXSID0040129; CTK4C4432; EX-A150; 4-Amino-5-fluoro-1-((2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)pyrimidin-2(1H)-one; XQSPYNMVSIKCOC-NTSWFWBYSA-N; HMS2089I05; HMS3713L12; KS-00001CJ2; ZINC3629271; Tox21_112193; ((-))-FTC; 5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)[1,3]oxathiolan-5-yl]cytosine; ABP001074; ANW-58684; BDBM50107843; CE0036; FTC-((-)); MFCD00870151; s1704; (-)-(2R,5S)-5-fluoro-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]cytosine; AKOS015853098; AKOS015894950; AM84393; CCG-220615; CS-1370; DB00879; MCULE-7141046266; NE44626; RTC-020120; SB18984; KS-00000L28; 2',3'-Dideoxy-3-thia-5-fluorocytidine; AS-14099; HY-17427; SC-17032; LS-135838; LS-173184; ST2405540; TC-020120; CAS-143491-57-0; E1007; FT-0080009; FT-0601789; SW220172-1; C12599; D01199; ent-Emtricitabine; Emtricitabine IP Impurity D; 24229-EP2298783A1; 24229-EP2314590A1; AB01275429-01; 491E570; Q422604; W-201247; W-201248; Z1739256297; UNII-ULS8902U4O component XQSPYNMVSIKCOC-NTSWFWBYSA-N; .beta.-L-(-)-(2R,5S)-5-Fluoro-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]cytosine; 2(1H)-Pyrimidinone,4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-; 4-Amino-5-fluoro-1-((2R,5S)-2-hydroxymethyl-[1,3]oxathiolan-5-yl)-1H-pyrimidin-2-one; 4-Amino-5-fluoro-1-[(2R,5S)-2-hydroxymethyl)-1,3-oxathiolan-5-yl]-2-(1H-pyrimidinone; 4-Amino-5-fluoro-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2(1H)-pyrimidinone; (+)-2'-Deoxy-3'-thia-5-fluorocytidine; (2S-cis)-4-Amino-5-fluoro-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2(1H)-pyrimidinone; 5-FLUORO-(-)-L-2',3'-DIDEOXY-3'-THIACYTIDINE; (-)-BETA-2',3'-DIDEOXY-5-FLUORO-3'-THIACYTIDINE; EMTRICITABINE; EMTRIVA",
"trade_name": "Emtriva (formerly Coviracil),",
"abbrev_name": "FTC, RCV, 2',3'-dideoxy-5-fluoro-3'-thiacytidine, emtricitabine, coviracil, racivir",
"description": "nucleoside reverse transcriptase inhibitor (NRTI)",
"molecular_formula": "C8H10FN3O3S",
"molecular_weight": "247.25",
"state": "solid",
"clearance": "* 302 +/- 94 mL/min [Renal Function Creatinine Clearance>80 ml/min]\n* 168 +/- 10 mL/min [Renal Function Creatinine Clearance 50-80 ml/min]\n* 138 +/- 28 mL/min [Renal Function Creatinine Clearance 30-49 ml/min]\n* 99 +/- 6 mL/min [Renal Function Creatinine Clearance<30 ml/min]\n* 64 +/- 12 mL/min [ESRD patients requiring dialysis]",
"volume_of_distribution": "",
"route_of_elimination": "The renal clearance of emtricitabine is greater than the estimated creatinine clearance, suggesting elimination by both glomerular filtration and active tubular secretion.",
"protein_binding": "Very low (less than 4%)",
"half_life": "10 hours",
"absorption": "Rapidly absorbed (mean absolute bioavailability of 93% for capsules, and 75% for solution). Food does not effect absorption.",
"cid": "60877",
"classification": "J",
"indications": "Alcohol abuse; Alcoholism; Blood bilirubin increased; HIV infection; Imprisonment; Infection; Renal failure; Renal impairment; Sexually transmitted disease; Viral infection",
"side_effects": "Abdominal pain (0.1); Upper respiratory tract infection (0.05); Anaemia; Dermatitis; Diarrhoea; Fasting; Haematuria; Headache; Hyperglycaemia; Nausea; Rash; Vomiting",
"atc_codes": "J05AR17; J05AR19; J05AR20; J05AF09; J05AR03; J05AR09; J05AR08; J05AR22; J05AR18; J05AR06",
"group": "Drug",
"drug_type": "",
"target": [
"T234"
],
"function": [
"F060102"
],
"references": [
"RC03683"
]
},
{
"compound_ID": "D0047",
"name": "Entacapone",
"synonyms": "ENTACAPONE; 130929-57-6; Comtan; Comtess; Entacaponum; Entacapona; OR-611; Entacaponum [INN-Latin]; Entacapona [INN-Spanish]; OR 611; 2-Cyano-N,N-diethyl-3-(3,4-dihydroxy-5-nitrophenyl)propenamide; UNII-4975G9NM6T; (E)-alpha-Cyano-N,N-diethyl-3,4-dihydroxy-5-nitrocinnamamide; CHEMBL953; (2E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylprop-2-enamide; CHEBI:4798; (E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylacrylamide; 4975G9NM6T; C14H15N3O5; (2E)-2-Cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethyl-2-propenamide; (E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylprop-2-enamide; NCGC00164555-01; Entacom; N,N-diethyl-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl) acrylamide; (E)-2-Cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethyl-2-propenamide; 116314-67-1; DSSTox_CID_26439; DSSTox_RID_81615; Entacapone [USAN:INN]; DSSTox_GSID_46439; cis-Entacapone; (E)-Entacapone; (~{E})-2-cyano-~{N},~{N}-diethyl-3-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-enamide; 2-Propenamide, 2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethyl-, (2E)-; (E)-2-CYANO-3-(5-(DIHYDROXYAMINO)-3,4-DIOXOCYCLOHEXA-1,5-DIENYL)-N,N-DIETHYLACRYLAMIDE; Comtan (TN); CAS-130929-57-6; SR-05000001452; (E)-2-cyano-3-(3,4-dihydroxy-5-nitro-phenyl)-N,N-diethyl-prop-2-enamide; 2-Propenamide, 2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethyl-; COM-998; Entacapone [USAN:USP:INN:BAN]; SCHEMBL34504; SCHEMBL34505; BIDD:GT0026; GTPL6647; DTXSID5046439; Entacapone (JP17/USAN/INN); SCHEMBL13596593; HSDB 8251; JRURYQJSLYLRLN-BJMVGYQFSA-N; HMS2089O16; HMS3713B20; EX-A1130; Tox21_112184; AC-393; BDBM50108879; BG0523; GP9755; s3147; ZINC35342787; AKOS015907685; AKOS015965009; Tox21_112184_1; BCP9000645; CCG-213064; CS-1266; DB00494; NCGC00164555-02; NCGC00164555-03; HY-14280; AB0105766; LS-123327; LS-172316; RT-012475; SW199035-2; C07943; D00781; J90011; K-4072; AB01275450-01; AB01275450_02; AB01275450_03; 929E576; A806167; Q416444; J-005902; J-008069; SR-05000001452-1; SR-05000001452-2; SR-05000001452-3; BRD-K83636919-001-01-4; (E)-N,N-diethyl-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)acrylamide; (E)-N, N-diethyl-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)acrylamide; (E)-2-cyano-N,N-diethyl-3-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-enamide; 2-cyano-3-(5-dihydroxyamino-3,4-dioxo-1-cyclohexa-1,5-dienyl)-N,N-diethyl-prop-2-enamide; 2-Propenamide,2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethyl-,(2E)-; PD9",
"trade_name": "Comtan",
"abbrev_name": "",
"description": "selective, reversible catechol-O-methyl transferase (COMT) inhibitor; a member of the class of nitrocatechols; methyl-transferase inhibitor; contain the nitrophenol protonophore",
"molecular_formula": "C14H15N3O5",
"molecular_weight": "305.29",
"state": "solid",
"clearance": "* 850 mL/min",
"volume_of_distribution": "* 20 L",
"route_of_elimination": "Entacapone is almost completely metabolized prior to excretion, with only a very small amount (0.2% of dose) found unchanged in urine. As only about 10% of the entacapone dose is excreted in urine as parent compound and conjugated glucuronide, biliary excretion appears to be the major route of excretion of this drug.",
"protein_binding": "98% (bind to serum albumin)",
"half_life": "0.4-0.7 hour",
"absorption": "Entacapone is rapidly absorbed (approximately 1 hour). The absolute bioavailability following oral administration is 35%.",
"cid": "5281081",
"classification": "N",
"indications": "Parkinson's disease; Parkinsonism",
"side_effects": "Abdominal pain; Agitation; Anxiety; Asthenia; Back pain; Bacterial infection; Chromaturia; Constipation; Depression; Diarrhoea; Dizziness; Dry mouth; Dysgeusia; Dyskinesia; Dyspepsia; Dyspnoea; Fatigue; Flatulence; Gastritis; Gastrointestinal disorder; Gastrointestinal pain; Hallucination; Headache; Hyperhidrosis; Hyperkinesia; Hypokinesia; Insomnia; Muscle spasms; Nausea; Orthostatic hypotension; Pain; Parkinsonism; Purpura; Somnolence; Tremor; Vascular purpura; Vertigo; Vomiting",
"atc_codes": "N04BX02",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0105",
"F010701",
"F02010202",
"F02040101"
],
"references": [
"RC00526",
"RC00527",
"RC00930",
"RC03505"
]
},
{
"compound_ID": "D0048",
"name": "Entecavir",
"synonyms": "Entecavir; 142217-69-4; Baraclude; BMS 200475; UNII-NNU2O4609D; entecavir (anhydrous); CHEBI:473990; 209216-23-9; BMS-200475; SQ-34676; BMS-200475-01; NNU2O4609D; 2-amino-1,9-dihydro-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6H-purin-6-one; SQ 34676; 2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-6,9-dihydro-1H-purin-6-one; HSDB 7334; anhydrous entecavir; 2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-1,9-dihydro-6H-purin-6-one; 6H-Purin-6-one, 2-amino-1,9-dihydro-9-((1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl)-; 6H-Purin-6-one, 2-amino-1,9-dihydro-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-; SQ 34,676; Entecavirum; Entecavir anhydrous; Entecavir (INN); NCGC00164563-01; CHEMBL713; DSSTox_CID_26446; DSSTox_RID_81621; DSSTox_GSID_46446; SCHEMBL28648; DTXSID4046446; Entecavir, >=98% (HPLC); SCHEMBL15198001; QDGZDCVAUDNJFG-FXQIFTODSA-N; KS-00000G4U; ZINC3802690; Tox21_112192; ABP001043; BDBM50248008; BMS200475; MFCD00907887; AKOS015854916; AKOS015920226; AKOS025312554; AC-1593; CS-3160; DB00442; GS-6386; LS41110; PB30663; SQ34676; 2-amino-9-[4-hydroxy-3-(hydroxymethyl)-2-methylidene-cyclopentyl]-3H-purin-6-one; NCGC00164563-09; NCGC00164563-13; 1333204-94-6; BR-77289; HY-13623; SC-20106; AB0071164; AB1004838; AM20080880; CAS-142217-69-4; E0899; FT-0083013; D07896; J90027; S-7388; 217E694; AR-270/43507901; Q418586; methylidenecyclopentyl]-6,9-dihydro-1H-purin-6-one; BRD-K08206212-001-01-2; 2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-; 9-[(1S,3R,4S)-4-Hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]guanine; 2-amino-9-[4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-1,9-dihydro-6H-purin-6-one; 2-amino-9-((1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl)-1,9-dihydro-6H-purin-6-one; 2-amino-9-((1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl)-3,9-dihydro-6H-purin-6-one; 2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylene-cyclopentyl]-1H-purin-6-one; 2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-1,9-dihydro-6H-purin-6-one hydrate (1:1); 2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-6,9-dihydro-3H-purin-6-one; 2-Amino-9-[(1S,3R,4S)-4-hydroxy-3-hydroxymethyl-2-methylene-cyclopentyl]-3,9-dihydro-purin-6-one; 2-Amino-9-[(1S,3R,4S)-4-hydroxy-3-hydroxymethyl-2-methylenecyclopentyl]-1,9-dihydro-6H-purin-6-one; 6-H-Purin-6-one-,2-amino-1,9-dihydro-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]",
"trade_name": "Baraclude",
"abbrev_name": "BMS",
"description": "a guanine analogue; antiviral",
"molecular_formula": "C12H15N5O3",
"molecular_weight": "277.28",
"state": "solid",
"clearance": "* renal cl=383.2 +/- 101.8 mL/min [Unimpaired renal function]\n* renal cl=197.9 +/- 78.1 mL/min [Mild impaired renal function]\n* renal cl=135.6 +/- 31.6 mL/min [Moderate impaired renal function]\n* renal cl=40.3 +/- 10.1 mL/min [severe impaired renal function]\n* apparent oral cl=588.1 +/- 153.7 mL/min [Unimpaired renal function]\n* apparent oral cl=309.2 +/- 62.6 mL/min [Mild impaired renal function]\n* apparent oral cl=226.3 +/- 60.1 mL/min [Moderate impaired renal function]\n* apparent oral cl=100.6 +/- 29.1 mL/min [severe impaired renal function]\n* apparent oral cl=50.6 +/- 16.5 mL/min [severe impaired renal function amnaged with Hemodialysis]\n* apparent oral cl=35.7 +/- 19.6 mL/min [severe impaired renal function amnaged with CAPD]",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "Binding of entecavir to human serum proteins in vitro is approximately 13%.",
"half_life": "After reaching peak concentration, entecavir plasma concentrations decreased in a bi-exponential manner with a terminal elimination half-life of approximately 128-149 hours. The phosphorylated metabolite has a half-life of 15 hours.",
"absorption": "Absorption Following oral administration in healthy subjects, entecavir peak plasma concentrations occurred between 0.5 and 1.5 hours. In healthy subjects, the bioavailability of the tablet is 100% relative to the oral solution.",
"cid": "135398508",
"classification": "J",
"indications": "Alanine aminotransferase increased; Chronic hepatitis B; Fibrosis; Foetor hepaticus; Hepatic cirrhosis; Hepatitis B e antigen positive; Hepatocellular injury; Infection; Inflammation; Liver disorder; Viral infection",
"side_effects": "Ascites (0.15); Upper respiratory tract infection (0.1); Abdominal pain upper; Asthenia; Diarrhoea; Dizziness; Dyspepsia; Fatigue; Glycosuria; Haematuria; Headache; Hyperglycaemia; Insomnia; Nausea; Somnolence; Vomiting",
"atc_codes": "J05AF10",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0049",
"name": "Epirubicin",
"synonyms": "Epirubicin; 56420-45-2; Epiadriamycin; Epidoxorubicin; 4'-Epiadriamycin; 4'-epidoxorubicin; Epirubicine; Ellence; Epirubicina; Epirubicinum; Pidorubicina; Pidorubicine; Pidorubicinum; Ridorubicin; Epi-DX; Epirubicine [French]; Epirubicinum [Latin]; 4-Epidoxorubicin; Epirubicina [Spanish]; IMI 28; Epirubicine [INN-French]; Epirubicinum [INN-Latin]; Epirubicina [INN-Spanish]; Pidorubicine [INN-French]; Pidorubicinum [INN-Latin]; Pidorubicina [INN-Spanish]; Epirubicin [INN:BAN]; 4'-epi-Doxorubicin; WP 697; Pidorubicin; UNII-3Z8479ZZ5X; CCRIS 2261; HSDB 6962; NSC 256942; BRN 1445813; CHEBI:47898; AOJJSUZBOXZQNB-VTZDEGQISA-N; 3Z8479ZZ5X; 4'-Epi-DXR; (1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-(methyloxy)-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-arabino-hexopyranoside; 5,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-beta-L-arabino-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S-cis)-; Epirubicin (INN); Farmorubicin (TN); NSC256942; NSC-256942; Acid, 8; CHEMBL417; SCHEMBL8582; DTXSID0022987; EPIRUBICIN(Hydrochloride form); BDBM43839; CTK8F9465; Doxorubicin-13CD3 (discontinued); ZINC3938704; CS-2824; DB00445; VA10821; NCGC00263918-04; (1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-arabino-hexopyranoside; (7S,9R)-7-[(2S,4S,5R,6S)-4-Amino-5-hydroxy-6-methyl-oxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione; (7S,9S)-7-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione; 10-((3-amino-2,3,6-trideoxy-beta-L-arabino-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-(8S-cis)-5,12-naphthacenedione; 5,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-alpha-L-arabino-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S-cis)-; AK326115; HY-13624; LS-93992; SBI-0206890.P001; LS-187190; FT-0630692; A12409; C11230; D07901; 15206-EP2269994A1; 15206-EP2270008A1; 15206-EP2270018A1; 15206-EP2272827A1; 15206-EP2275420A1; 15206-EP2280012A2; 15206-EP2281815A1; 15206-EP2289892A1; 15206-EP2292615A1; 15206-EP2292617A1; 15206-EP2295055A2; 15206-EP2295416A2; 15206-EP2295426A1; 15206-EP2295427A1; 15206-EP2298748A2; 15206-EP2298764A1; 15206-EP2298765A1; 15206-EP2298768A1; 15206-EP2298778A1; 15206-EP2298780A1; 15206-EP2301928A1; 15206-EP2301933A1; 15206-EP2305640A2; 15206-EP2305642A2; 15206-EP2305671A1; 15206-EP2305689A1; 15206-EP2308855A1; 15206-EP2308861A1; 15206-EP2311453A1; 15206-EP2311808A1; 15206-EP2311825A1; 15206-EP2311827A1; 15206-EP2311829A1; 15206-EP2311840A1; 15206-EP2311842A2; 15206-EP2316832A1; 15206-EP2316833A1; AB00698552-11; AB00698552-13; AB00698552-14; AB00698552_15; AB00698552_16; A831042; Q425122; BRD-K04548931-003-16-5; (7S,9S)-7-[(2R,4S,5R,6S)-4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl]oxy-4-methoxy-6,9,11-tris(oxidanyl)-9-(2-oxidanylethanoyl)-8,10-dihydro-7H-tetracene-5,12-dione; (7S,9S)-7-[[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyl-2-oxanyl]oxy]-6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione; (8S,10S)-10-{[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione; 4'-Epidoxorubicin|||4'-Epiadriamycin|||(8S,10S)-10-(((2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione; 5,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-.alpha.-L-arabino-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-, (8S,10S)-; 5,12-Naphthacenedione,10-[(3-amino-2,3,6-trideoxy-a-L-arabino-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S,10S)-",
"trade_name": "Ellence, Pharmorubicin, Epirubicin Ebewe",
"abbrev_name": "",
"description": "anthracycline drug used for chemotherapy; intercalating DNA strands",
"molecular_formula": "C27H29NO11",
"molecular_weight": "543.5",
"state": "solid",
"clearance": "* 65 +/- 8 L/hour [Patients1 with Solid Tumors Receiving Intravenous Epirubicin 60 mg/m2]\n* 83 +/- 14 L/hour [Patients1 with Solid Tumors Receiving Intravenous Epirubicin 75 mg/m2]\n* 65 +/- 13 L/hour [Patients1 with Solid Tumors Receiving Intravenous Epirubicin 120 mg/m2]\n* 69 +/- 13 L/hour [Patients1 with Solid Tumors Receiving Intravenous Epirubicin 150 mg/m2]",
"volume_of_distribution": "* 21 ± 2 L/kg [60 mg/m2 Dose]\n* 27 ± 11 L/kg [75 mg/m2 Dose]\n* 23 ± 7 L/kg [120 mg/m2 Dose]\n* 21 ± 7 L/kg [150 mg/m2 Dose]",
"route_of_elimination": "Epirubicin and its major metabolites are eliminated through biliary excretion and, to a lesser extent, by urinary excretion.",
"protein_binding": "0.77",
"half_life": "Half-lives for the alpha, beta, and gamma phases of about 3 minutes, 2.5 hours and 33 hours, respectively",
"absorption": "1",
"cid": "41867",
"classification": "L",
"indications": "",
"side_effects": "",
"atc_codes": "L01DB03",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0050",
"name": "Etidocaine",
"synonyms": "Etidocaine; 36637-18-0; Duranest; Etidocaina; Etidocainum; Etidocainum [INN-Latin]; Etidocaina [INN-Spanish]; UNII-K9D2CE52PU; UNII-Y83XVY9AQ8; 2-(Ethylpropylamino)-2',6'-butyroxylidide; N-(2,6-dimethylphenyl)-2-[ethyl(propyl)amino]butanamide; CHEBI:4904; (+-)-2-(Ethylpropylamino)-2',6'-butyroxylidide; W-19053; EINECS 253-143-8; (+-)-N-(2,6-Dimethylphenyl)-2-(ethylpropylamino)butanamide; BRN 2741181; K9D2CE52PU; Y83XVY9AQ8; 2',6'-BUTYROXYLIDIDE, 2-(ETHYLPROPYLAMINO)-; Butanamide, N-(2,6-dimethylphenyl)-2-(ethylpropylamino)-, (+-)-; 60108-68-1; Butanamide, N-(2,6-dimethylphenyl)-2-(ethylpropylamino)-, (.+/-.)-; Etidocaine, (+)-; Etidocaine, (-)-; N-(2,6-dimethylphenyl)-2-(ethyl(propyl)amino)butanamide; Etidocaine [USAN:BAN:INN]; Etidocaine [USAN:INN:BAN]; NCGC00183654-01; (+/-)-N-(2,6-Dimethylphenyl)-2-(ethylpropylamino)butyramide monohydrochloride; Etidocaine (USAN/INN); DSSTox_CID_3027; CHEMBL492; Duranest [as hydrochloride]; DSSTox_RID_76836; DSSTox_GSID_23027; SCHEMBL57261; GTPL2621; N-(2,6-Dimethylphenyl)-2-(ethylpropylamino)butanamide; DTXSID1023027; VTUSIVBDOCDNHS-UHFFFAOYSA-N; Butanamide, N-(2,6-dimethylphenyl)-2-(ethylpropylamino)-, (+)-; Butanamide, N-(2,6-dimethylphenyl)-2-(ethylpropylamino)-, (-)-; Tox21_112968; BDBM50225497; DB08987; W-19053 [AS HYDROCHLORIDE]; 38188-41-9; 38188-42-0; LS-45490; LS-48493; CAS-36637-18-0; FT-0700005; C07530; D04095; Q304782; (.+/-.)-2-(Ethylpropylamino)-2',6'-butyroxylidide; N-(2,6-dimethylphenyl)-2-(ethyl-propylamino)butanamide; N-(2,6-Dimethylphenyl)-2-(N-ethyl-N-propylamino)butyramide",
"trade_name": "Duranest",
"abbrev_name": "",
"description": "local anesthetic",
"molecular_formula": "C17H28N2O",
"molecular_weight": "276.4",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "37497",
"classification": "N",
"indications": "",
"side_effects": "",
"atc_codes": "N01BB57; N01BB07",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0051",
"name": "Etodolac",
"synonyms": "etodolac; 41340-25-4; Etodolic acid; Lodine; Ultradol; Lodine XL; Etodolaco; Etodolacum; Ramodar; AY 24236; Etodolacum [INN-Latin]; Etodolaco [INN-Spanish]; AY-24236; AY-24,236; Edolan; CCRIS 3923; 2-(1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetic acid; CHEMBL622; NSC 282126; 1,3,4,9-Tetrahydro-1,8-diethylpyrano(3,4-b)indole-1-acetic acid; 1,8-Diethyl-1,3,4,9-tetrahydropyrano(3,4-b)indole-1-acetic acid; 1,8-Diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indole-1-acetic acid; (1,8-Diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetic acid; 2-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid; Pyrano[3,4-b]indole-1-acetic acid, 1,8-diethyl-1,3,4,9-tetrahydro-; MLS000028474; CHEBI:4909; RAK-591; NNYBQONXHNTVIJ-UHFFFAOYSA-N; Pyrano(3,4-b)indole-1-acetic acid, 1,8-diethyl-1,3,4,9-tetrahydro-; NSC282126; SMR000058443; DSSTox_CID_615; (1,8-Diethyl-1,3,4,9-tetrahydro-pyrano[3,4-b]indol-1-yl)-acetic acid; 2-{1,8-diethyl-1H,3H,4H,9H-pyrano[3,4-b]indol-1-yl}acetic acid; (+-)-1,8-Diethyl-1,3,4,9-tetrahydropyrano(3,4-b)indole-1-acetic acid; DSSTox_RID_75691; DSSTox_GSID_20615; Hypen; Pyrano(3,4-b)indole-1-acetic acid, 1,3,4,9-tetrahydro-1,8-diethyl-; Pyrano(3,4-b)indole-1-acetic acid, 1,8-diethyl-1,3,4,9-tetrahydro-(+-)-; SR-01000000100; Etodolac [USAN:INN:BAN]; Etodolsaure; Osteluc; Tedolan; Zedolac; etodolac o; Etodlic Acid; [1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid; Etodolac(Lodine); Lodine SR; KS-1056; Etodolac [USAN:USP:INN:BAN]; NCGC00016849-01; Etodolac,(S); Prestwick_209; CAS-41340-25-4; Lodine (TN); Spectrum_001244; Opera_ID_1774; Prestwick0_000231; Prestwick1_000231; Prestwick2_000231; Prestwick3_000231; Spectrum2_001387; Spectrum3_001429; Spectrum4_000410; Spectrum5_001347; SCHEMBL3903; Lopac0_000479; BSPBio_000301; BSPBio_003138; KBioGR_000680; KBioSS_001724; MLS001077315; MLS006011566; DivK1c_000147; SPECTRUM1501005; Etodolac (JP17/USP/INN); SPBio_001374; SPBio_002222; BPBio1_000333; GTPL7185; DTXSID9020615; CTK4I4719; HMS500H09; KBio1_000147; KBio2_001724; KBio2_004292; KBio2_006860; KBio3_002358; NINDS_000147; HMS1568P03; HMS1921B09; HMS2092O20; HMS2095P03; HMS2231D04; HMS3259P10; HMS3261O20; HMS3374G09; HMS3712P03; Pharmakon1600-01501005; BCP28411; Tox21_110644; Tox21_202218; Tox21_500479; ANW-42024; BDBM50016799; CCG-39005; CE0096; MFCD00133313; NSC757821; AKOS015838610; Tox21_110644_1; AC-4231; CS-0832; DB00749; LP00479; LS-7393; NC00718; NSC-282126; NSC-757821; RTR-036749; IDI1_000147; KS-0000000W; NCGC00015399-03; NCGC00015399-04; NCGC00015399-05; NCGC00015399-06; NCGC00015399-07; NCGC00015399-08; NCGC00015399-09; NCGC00015399-11; NCGC00015399-12; NCGC00015399-13; NCGC00015399-15; NCGC00015399-16; NCGC00089769-02; NCGC00089769-03; NCGC00089769-04; NCGC00089769-05; NCGC00089769-06; NCGC00089769-07; NCGC00259767-01; NCGC00261164-01; AK550845; CPD000058443; HY-76251; SAM002589968; SBI-0050463.P003; AB0012214; TR-036749; AB00052194; E0858; EU-0100479; FT-0607046; C06991; D00315; E 0516; K-8734; Pyrano[3, 1,8-diethyl-1,3,4,9-tetrahydro-; AB00052194_17; 340E254; Q-201099; Q2465218; SR-01000000100-2; SR-01000000100-4; SR-01000000100-7; BRD-A74667430-001-05-3; BRD-A74667430-001-15-2; 1,3,4,9-tetrahydropyrano[3,4-b]indole-1-acetic acid; Etodolac, European Pharmacopoeia (EP) Reference Standard; F2173-0681; Z1820178466; Etodolac, United States Pharmacopeia (USP) Reference Standard; 1,8-diethyl-1,3,4,9-tetrahydro-pyrano[3,4-b]indole-1-acetic acid; 1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-ylacetic acid; 1,8-Diethyl-1,3,4,9-tetrahydropyranol[3,4-b]indole-1-acetic acid; (RS)-2-(1,8-Diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid; 2-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid.; Pyrano(3,4,b)indole-1-acetic acid, 1,3,4,9-tetrahydro-1,8-diethyl-; AY 24,236; AY 24236;AY-24,236; AY-24236; AY24,236; AY24236; Etodolac for peak identification, European Pharmacopoeia (EP) Reference Standard",
"trade_name": "",
"abbrev_name": "",
"description": "non-steroidal anti-inflammatory drug (NSAID) with anti-inflammatory, analgesic and antipyretic properties; inhibit prostaglandin synthesis",
"molecular_formula": "C17H21NO3",
"molecular_weight": "287.35",
"state": "solid",
"clearance": "* Oral cl=49.1 mL/h/kg [Normal healthy adults]\n* Oral cl=49.4 mL/h/kg [Healthy males (18-65 years)]\n* Oral cl=35.7 mL/h/kg [Healthy females (27-65 years)]\n* Oral cl=45.7 mL/h/kg [Eldery (>65 years)]\n* Oral cl=58.3 mL/h/kg [Renal impairement (46-73 years)]\n* Oral cl=42.0 mL/h/kg [Hepatic impairement (34-60 years)]",
"volume_of_distribution": "* 390 mL/kg",
"route_of_elimination": "It is not known whether etodolac is excreted in human milk; however, based on its physical-chemical properties, excretion into breast milk is expected. Etodolac is extensively metabolized in the liver. The hydroxylated-etodolac metabolites undergo further glucuronidation followed by renal excretion and partial elimination in the feces (16% of dose). Approximately 1% of a etodolac dose is excreted unchanged in the urine with 72% of the dose excreted into urine as parent drug plus metabolite.",
"protein_binding": "> 99% bound, primarily to albumin",
"half_life": "Terminal t<sub>1/2</sub>, 7.3 ± 4.0 hours. Distribution t<sub>1/2</sub>, 0.71 ± 0.50 hours",
"absorption": "Based on mass balance studies, the systemic bioavailability of etodolac from either the tablet or capsule formulation is at least 80%.",
"cid": "3308",
"classification": "M",
"indications": "Arthritis; Diabetes mellitus; Juvenile idiopathic arthritis; Osteoarthritis; Pain; Rheumatoid arthritis",
"side_effects": "Dyspepsia (0.1)",
"atc_codes": "M01AB08",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0105",
"F020103"
],
"references": [
"RC01042",
"RC01068",
"RC01085"
]
},
{
"compound_ID": "D0052",
"name": "Etoposide",
"synonyms": "etoposide; 33419-42-0; VePesid; Toposar; trans-Etoposide; Lastet; (-)-Etoposide; Zuyeyidal; Etoposidum; Etoposido; Etoposidum [INN-Latin]; VP-16; Etoposide (VP16); VP 16-213; Etoposido [INN-Spanish]; Vepesid J; VP 16 (pharmaceutical); Etopophos (phosphate salt); VP 16; VP-16-213; 4-Demethylepipodophyllotoxin beta-D-ethylideneglucoside; VP 16213; UNII-6PLQ3CP4P3; NK 171; NSC 141540; CCRIS 2392; HSDB 6517; 4'-Demethylepipodophyllotoxin 9-(4,6-O-(R)-ethylidene-beta-D-glucopyranoside); EINECS 251-509-1; NSC-141540; 6PLQ3CP4P3; Epipodophyllotoxin VP-16213; CHEMBL44657; CHEBI:4911; Demethylepipodophyllotoxin-beta-D-ethylideneglucoside; 4'-O-Demethyl-1-O-(4,6-O-ethylidene-beta-D-glucopyranosyl)epipodophyllotoxin; Epipodophyllotoxin, 4'-demethyl-, 9-(4,6-O-ethylidene-beta-D-glucopyranoside); CPD000112002; Epipodophyllotoxin-beta-D-ethyliden-glucoside, 4'-demethyl-; Eposide; 4'-Demethylepipodophyllotoxin 9-(4,6-O-ethylidene-beta-D-glucopyranoside); Etosid; [1,3]benzodioxol-8-one; (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside; 9-((4,6-O-Ethylidene-beta-D-glucopyranosyl)oxy)-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, (5R-(5alpha,5abeta,8aalpha,9beta(R*)))-; 9-((4,6-O-Ethylidine-beta-D-glucopyranosyl)oxy)-5,8,8a,9-tetrahydro-5-(4- hydroxy-3,4-dimethyloxyphenyl)furo (3',4'':6,7) naptho-(2,3-d)-1,3-dioxol-6 (5aH)-one; Vepeside; Etopol; C29H32O13; NSC141540; Etoposide (VP-16); 9-((4,6-O-Ethylidine-beta-D-glucopyranosyl)oxy)-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,4-dimethyloxyphenyl)furo(3',4'':6,7)naptho-(2,3-d)-1,3-dioxol-6(5aH)-one; Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 9-((4,6-O-(1R)-ethylidene-beta-D-glucopyranosyl)oxy)-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-, (5R,5aR,8aR,9S)-; Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one-, 9-((4,6-O-ethylidene-beta-D-glucopyranosyl)oxy)5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl), (5R-(5alpha,5abeta,8aalpha,9beta(R*)))-; SMR000112002; Etoposide [USAN:INN:BAN:JAN]; VePESID (TN); 4'-Demethylepipodophyllotoxin ethylidene-.beta.-D-glucoside; Etoposide,(S); (5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f]; EVP; Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 9-[[4,6-O-(1R)-ethylidene-.beta.-D-glucopyranosyl]oxy]-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-, (5R,5aR,8aR,9S)-; MFCD00869325; Etoposide [USAN:USP:INN:BAN:JAN]; Etoposide; VP-16; Prestwick3_000396; Demethyl Epipodophyllotoxin Ethylidine Glucoside; SCHEMBL4259; BSPBio_000611; Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 9-((4,6-O-ethylidene-beta-D-glucopyranosyl)oxy)-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-, (5R-(5alpha,5abeta,8aalpha,9beta(R*)))-; MLS000049957; MLS001074951; MLS001424283; MLS002153463; MLS002207239; MLS002222184; [1,3]dioxol-6(5aH)-one; Etoposide (JP17/USP/INN); BPBio1_000673; GTPL6815; VJJPUSNTGOMMGY-MRVIYFEKSA-N; HMS2052N05; HMS2089F14; HMS2096O13; HMS2232L03; HMS3713O13; EX-A1207; ZINC3938684; BDBM50127140; s1225; AKOS007930275; Epipodophyllotoxin, 4'-demethyl-, 4,6-O-ethylidene-beta-D-glucopyranoside; AB07572; ACN-057122; BCP9000669; CCG-101165; CS-1774; DB00773; EBD2157958; Etoposide, synthetic, >=98%, powder; LS-1214; NC00415; 4'-Demethyl-epipodophyllotoxin 9-[4,6-O-(R)-ethylidene-beta-D-glucopyranoside; Epipodophyllotoxin, 4'-demethyl-, 4,6-O-ethylidene-beta-D-glucopyranoside (8CI); NCGC00179504-02; (5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one; AS-35312; CC-28332; HY-13629; SAM001246880; SBI-0051910.P002; AB00438905; ST24047199; A-8109; C01576; D00125; 13165-EP2269989A1; 13165-EP2270008A1; 13165-EP2270014A1; 13165-EP2270018A1; 13165-EP2272827A1; 13165-EP2272832A1; 13165-EP2275413A1; 13165-EP2275420A1; 13165-EP2277565A2; 13165-EP2277566A2; 13165-EP2277567A1; 13165-EP2277568A2; 13165-EP2277569A2; 13165-EP2277570A2; 13165-EP2277865A1; 13165-EP2277876A1; 13165-EP2280012A2; 13165-EP2281815A1; 13165-EP2287156A1; 13165-EP2289892A1; 13165-EP2292280A1; 13165-EP2292614A1; 13165-EP2292615A1; 13165-EP2292617A1; 13165-EP2295055A2; 13165-EP2295416A2; 13165-EP2295426A1; 13165-EP2295427A1; 13165-EP2298305A1; 13165-EP2298746A1; 13165-EP2298748A2; 13165-EP2298764A1; 13165-EP2298765A1; 13165-EP2298768A1; 13165-EP2298772A1; 13165-EP2298778A1; 13165-EP2298780A1; 13165-EP2301928A1; 13165-EP2301933A1; 13165-EP2305640A2; 13165-EP2305642A2; 13165-EP2305671A1; 13165-EP2305679A1; 13165-EP2305689A1; 13165-EP2308812A2; 13165-EP2308833A2; 13165-EP2308839A1; 13165-EP2308855A1; 13165-EP2308861A1; 13165-EP2311453A1; 13165-EP2311807A1; 13165-EP2311808A1; 13165-EP2311825A1; 13165-EP2311827A1; 13165-EP2311829A1; 13165-EP2311840A1; 13165-EP2311842A2; 13165-EP2314574A1; 13165-EP2316832A1; 13165-EP2316833A1; 13165-EP2316834A1; 13165-EP2374454A1; AB00438905-17; AB00438905-18; AB00438905_19; 419E420; C-23291; Q418817; SR-01000763196; SR-01000763196-3; BRD-K37798499-001-02-5; BRD-K37798499-001-05-8; BRD-K37798499-001-10-8; BRD-K37798499-001-14-0; BRD-K37798499-001-27-2; Etoposide, British Pharmacopoeia (BP) Reference Standard; Etoposide, European Pharmacopoeia (EP) Reference Standard; Etoposide, United States Pharmacopeia (USP) Reference Standard; 4''-Demethylepipodophyllotoxin 9-(4,6-O-(R)-ethylidene-beta-D-glucopyranoside); Etoposide for system suitability, European Pharmacopoeia (EP) Reference Standard; (10r,11r,15r,16s)-16-([(2r,4ar,7r,8r,8as)-7,8-dihydroxy-2-methyl-hexahydro-2h-pyrano[3,2-d][1,3]diox; (10R,11R,15R,16S)-16-{[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-6-yl]oxy}-10-(4-hydroxy-3,5-dimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0^{3,7}.0^{11,15}]hexadeca-1(9),2,7-trien-12-one; (5R,5aR,8aR,9S)-9-(((2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methylhexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy)-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,5a,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(8H)-one; (5R,5aR,8aR,9S)-9-(((2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methylhexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy)-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d]; (5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one; (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3'',4'':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside; [5R-[5?,5a?,8a?,9?(R*)]]-9-[(4,6-?-Ethylidene-?-D-glucopyranosyl)oxy]-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6-(5aH)-one; 9-((4,6-O-Ethylidine-beta-D-glucopyranosyl)oxy)-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,4-dimethyloxyphenyl)furo(3'',4'''':6,7)naptho-(2,3-d)-1,3-dioxol-6(5aH)-one",
"trade_name": "Etopophos",
"abbrev_name": "",
"description": "inhibits DNA synthesis by forming a complex with topoisomerase II and DNA; derivative of podophyllotoxin",
"molecular_formula": "C29H32O13",
"molecular_weight": "588.6",
"state": "solid",
"clearance": "* Total body clearance = 33 - 48 mL/min [IV administration, adults]\n* Mean renal clearance = 7 - 10 mL/min/m^2",
"volume_of_distribution": "The disposition of etoposide is a biphasic process with a distribution half-life of 1.5 hours. It does not cross into cerebrospinal fluid well. \nVolume of distribution, steady state = 18 - 29 L.",
"route_of_elimination": "Etoposide is cleared by both renal and nonrenal processes, i.e., metabolism and biliary excretion. Glucuronide and/or sulfate conjugates of etoposide are also excreted in human urine. Biliary excretion of unchanged drug and/or metabolites is an important route of etoposide elimination as fecal recovery of radioactivity is 44% of the intravenous dose. 56% of the dose was in the urine, 45% of which was excreted as etoposide.",
"protein_binding": "97% protein bound.",
"half_life": "4-11 hours",
"absorption": "Absorbed well, time to peak plasma concentration is 1-1.5 hrs. Mean bioavailability is 50% (range of 25% - 75%). Cmax and AUC values for orally administered etoposide capsules display intra- and inter-subject variability. There is no evidence of first-pass effect for etoposide.",
"cid": "36462",
"classification": "L",
"indications": "Acquired immunodeficiency syndrome; Autoimmune disorder; Bladder cancer; Brain neoplasm; Cervix carcinoma; Ewing's sarcoma; Gestational trophoblastic tumour; Hepatic cancer; Hepatic function abnormal; Hepatocellular carcinoma; Hodgkin's disease; Hodgkin's disease lymphocyte depletion type stage unspecified; Hodgkin's disease lymphocyte predominance type stage unspecified; Hypersensitivity; Kaposi's sarcoma; Leukaemia; Lymphocytic leukaemia; Lymphoma; Neoplasm; Neoplasm malignant; Nervous system disorder; Neuroblastoma; Neutropenia; Ovarian cancer; Pancytopenia; Prostate cancer; Renal failure; Renal impairment; Rhabdomyosarcoma; Small cell carcinoma; Testicular neoplasm",
"side_effects": "Abdominal pain (0.07); Vomiting (0.37); Asthenia",
"atc_codes": "L01CB01",
"group": "Drug",
"drug_type": "",
"target": [
"T387",
"T408"
],
"function": [
"F010401",
"F0105",
"F0108",
"F020103",
"F0303",
"F0504",
"F0701"
],
"references": [
"RC01043",
"RC01044",
"RC01069",
"RC01086",
"RC04643",
"RC04646",
"RC04649"
]
},
{
"compound_ID": "D0053",
"name": "Farglitazar",
"synonyms": "Farglitazar; GI-262570; GI262570; 196808-45-4; GI 262570; UNII-3433GY7132; CHEMBL107367; GI-262570X; 2-(2-BENZOYL-PHENYLAMINO)-3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL-4-YL)-ETHOXY]-PHENYL}-PROPIONIC ACID; 3433GY7132; L-Tyrosine, N-(2-benzoylphenyl)-o-(2-(5-methyl-2-phenyl-4-oxazolyl)ethyl); L-Tyrosine, N-(2-benzoylphenyl)-o-(2-(5-methyl-2-phenyl-4-oxazolyl)ethyl)-; N-(o-Benzoylphenyl)-O-(2-(5-methyl-2-phenyl-4-oxazolyl)ethyl)-L-tyrosine; Farglitazar [USAN]; Farglitazar [USAN:INN]; L-tyrosine, N-(2-benzoylphenyl)-O-[2-(5-methyl-2-phenyl-4-oxazolyl)ethyl]-; 1fm9; Farglitazar (USAN/INN); DSSTox_CID_27310; DSSTox_RID_82260; DSSTox_GSID_47310; KBioGR_002347; KBioSS_002350; SCHEMBL501024; GTPL2672; DTXSID1047310; KBio2_002347; KBio2_004915; KBio2_007483; cMAP_000025; ZZCHHVUQYRMYLW-HKBQPEDESA-N; (S)-2-((2-Benzoylphenyl)amino)-3-(4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)phenyl)propanoic acid; Tox21_300218; BDBM50085044; GI262570X; ZINC49639808; GI 262570X; NCGC00247940-01; NCGC00254050-01; LS-184758; CAS-196808-45-4; D04132; Q5435087; L-Tyrosine, N-(2-benzoylphenyl)-O-[2-(5-methyl-2-phenyl-4-oxazolyl)ethyl]- (9CI); O-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-N-[2-(phenylcarbonyl)phenyl]-L-tyrosine; (2S)-2-[[2-(benzoyl)phenyl]amino]-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid; (S)-2-(2-Benzoyl-phenylamino)-3-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid; (S)-2-(2-benzoylphenylamino)-3-(4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)phenyl)propanoic acid; 2(S)-(2-Benzoylphenylamino)-3-[4-[2-(5-methyl-2-phenyloxazol-4-yl)ethoxy]phenyl]propionic acid; 2-(2-Benzoyl-phenylamino)-3-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid(GI 262570)",
"trade_name": "",
"abbrev_name": "",
"description": "peroxisome proliferator-activated receptor agonist",
"molecular_formula": "C34H30N2O5",
"molecular_weight": "546.6",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "170364",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0054",
"name": "Felbamate",
"synonyms": "felbamate; 25451-15-4; Felbatol; 2-Phenylpropane-1,3-diyl dicarbamate; 2-Phenyl-1,3-propanediol dicarbamate; Felbamyl; Taloxa; Felbamato; Felbamatum; W-554; Felbamatum [Latin]; Felbamato [Spanish]; 1,3-Propanediol, 2-phenyl-, dicarbamate; Felbamate [USAN:INN]; ADD-03055; W 554; UNII-X72RBB02N8; CHEBI:4995; Carbamic acid, 2-phenyltrimethylene ester; C11H14N2O4; EINECS 247-001-4; BRN 3345236; 3-(carbamoyloxy)-2-phenylpropyl carbamate; MLS000028465; X72RBB02N8; WKGXYQFOCVYPAC-UHFFFAOYSA-N; NCGC00015429-08; SMR000058448; DSSTox_CID_3041; DSSTox_RID_76847; DSSTox_GSID_23041; Q-100326; Felbatol (TN); CAS-25451-15-4; (3-carbamoyloxy-2-phenylpropyl) carbamate; SR-01000000089; Felbamate (USAN/INN); carbamic acid 2-phenyltrimethylene ester; HSDB 7525; ADD 03055; Tocris-0869; Opera_ID_1738; Prestwick0_000919; Lopac-F-0778; Biomol-NT_000203; F 0778; CHEMBL1094; Lopac0_000524; SCHEMBL34947; 4-06-00-05993 (Beilstein Handbook Reference); MLS001077299; BIDD:GT0463; BPBio1_001258; GTPL5473; DTXSID9023041; AOB5042; EX-A591; HMS2093P19; HMS2234H06; HMS3261J09; HMS3266L12; HMS3370I06; HMS3411P21; HMS3657I11; HMS3675P21; HMS3715D20; Pharmakon1600-01505600; (3-carbamoyloxy-1,1,3,3-tetradeuterio-2-phenylpropyl) carbamate; BCP27941; HY-B0184; KS-00001F6O; ZINC1530803; Tox21_110145; Tox21_302368; Tox21_500524; 2-Phenyl-1,3-propanedioldicarbamate; ANW-65602; BDBM50088430; BN0583; MFCD00865296; NSC759866; s1330; AKOS015895100; Tox21_110145_1; AC-8197; ACN-054465; API0002680; CCG-204614; CS-2068; DB00949; KS-1171; LP00524; MCULE-2661497722; NSC-759866; NCGC00015429-01; NCGC00015429-02; NCGC00015429-03; NCGC00015429-04; NCGC00015429-05; NCGC00015429-06; NCGC00015429-07; NCGC00015429-09; NCGC00015429-10; NCGC00015429-11; NCGC00015429-14; NCGC00023092-02; NCGC00023092-04; NCGC00023092-05; NCGC00023092-06; NCGC00255275-01; NCGC00261209-01; CC-28364; SC-46002; SBI-0050507.P002; AB0011540; AB1008593; AX8130043; DB-046702; LS-120706; TC-154347; EU-0100524; FT-0630517; SW197633-2; (3-aminocarbonyloxy-2-phenyl-propyl) carbamate; C07501; D00536; EN300-119542; J90036; K-6677; AB00382985-18; AB00382985_19; 451F154; A817858; C-14192; Carbamic acid 3-carbamoyloxy-2-phenyl-propyl ester; Q421301; carbamic acid (3-carbamoyloxy-2-phenylpropyl) ester; SR-01000000089-2; SR-01000000089-4; SR-01000000089-7; BRD-K99107520-001-01-9; BRD-K99107520-001-09-2; BRD-K99107520-001-18-3; Z1541638522; Felbamate, United States Pharmacopeia (USP) Reference Standard; 2-?methyl-?4-?(4-?methyl-?1-?piperazinyl)-?10H-?thieno[2,?3-?b][1,?5]benzodiazepine",
"trade_name": "Felbatol",
"abbrev_name": "",
"description": "anticonvulsant",
"molecular_formula": "C11H14N2O4",
"molecular_weight": "238.24",
"state": "solid",
"clearance": "* 26 +/- 3 mL/hr/kg [single 1200 mg dose]\n* 30 +/- 8 mL/hr/kg [multiple daily doses of 3600 mg]",
"volume_of_distribution": "* 756±82 mL/kg",
"route_of_elimination": "",
"protein_binding": "20-36%",
"half_life": "20-23 hours",
"absorption": ">90%",
"cid": "3331",
"classification": "N",
"indications": "Convulsion; Epilepsy; Lennox-Gastaut syndrome; Partial seizures",
"side_effects": "Abdominal pain; Acne; Affect lability; Alanine aminotransferase increased; Anxiety; Asthenia; Ataxia; Body temperature increased; Chest pain; Constipation; Cough; Decreased appetite; Depressed level of consciousness; Depression; Dermatitis; Diarrhoea; Diplopia; Dizziness; Dry mouth; Dysgeusia; Dyspepsia; Face oedema; Fatigue; Gait disturbance; Gastrointestinal pain; Haemoglobin; Haemorrhage; Headache; Hiccups; Hypophosphataemia; Insomnia; Leukopenia; Mental disability; Miosis; Mood swings; Musculoskeletal discomfort; Myalgia; Nausea; Nervousness; Otitis media; Pain; Paraesthesia; Pharyngitis; Purpura; Rash; Rhinitis; Sinusitis; Somnolence; Stupor; Tension; Thinking abnormal; Tremor; Upper respiratory tract infection; Urinary incontinence; Urinary tract infection; Vascular purpura; Visual impairment; Vomiting; Weight decreased",
"atc_codes": "N03AX10",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0055",
"name": "Fenofibrate",
"synonyms": "fenofibrate; 49562-28-9; Procetofen; Lipantil; Lipanthyl; Tricor; Fenobrate; Lipidil; Secalip; Antara; Finofibrate; Lipoclar; Lipofene; Proctofene; Triglide; Fenogal; Lipirex; Sedufen; Elasterin; Fenoglide; Fenotard; Protolipan; Ankebin; Lipidex; Lipifen; Lipofen; Liposit; Lipsin; Nolipax; Elasterate; Procetofene; Luxacor; Fenofibratum; Fenofibrato; Fenofibratum [INN-Latin]; Fenofibrato [INN-Spanish]; Lipantil (TN); Tricor (TN); LF-178; propan-2-yl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate; TRICOR (MICRONIZED); Isopropyl 2-(4-(4-chlorobenzoyl)phenoxy)-2-methylpropanoate; FENOFIBRATE (MICRONIZED); Isopropyl 2-(4-(4-chlorobenzoyl)phenoxy)-2-methylpropionate; C20H21ClO4; 2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropanoic acid 1-methylethyl ester; NSC 281319; UNII-U202363UOS; CCRIS 7282; Isopropyl (4'-(p-chlorobenzoyl)-2-phenoxy-2-methyl)propionate; FNF; EINECS 256-376-3; CHEMBL672; BRN 2062462; Propanoic acid, 2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-, 1-methylethyl ester; MLS000028515; CHEBI:5001; isopropyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate; Lofibra; YMTINGFKWWXKFG-UHFFFAOYSA-N; U202363UOS; Propanoic acid, 2-(4-(4-chlorobenzoyl)phenoxy)-2-methyl-, 1-methylethyl ester; Fenofibrate, 98%; NCGC00015437-10; Phenofibrate; Isopropyl 2-(p-(p-chlorobenzoyl)phenoxy)-2-methylpropionate; SMR000058299; Supralip; CAS-49562-28-9; DSSTox_CID_9874; DSSTox_RID_78828; DSSTox_GSID_29874; Antara (micronized); Q-201111; Fenomax; Pharmavit; Fulcro; Fenofibrate [INN:BAN]; 2-[4-(4-Chlorobenzoyl)phenoxy]-2-methylpropanoic acid isopropyl ester; CIP-Fenofibrate; 2-[4-(4-Chlorobenzoyl)phenoxy]-2-methylpropanoic acid 1-methylethyl ester; LCP-FenoChol; LCP-Feno; Triglide (TN); Fenofibrate IDD-P; Lipofen (TN); Antara (TN); SR-01000000091; Fenofibrate (JAN/INN); LF 178; Isopropyl 2-[p-(p-chlorobenzoyl)phenoxy]-2-methylpropionate; Procetoken; Isopropyl 2-[4-(4-Chlorobenzoyl)phenoxy]-2-methylpropionate; fenofibrate;; methylethyl 2-{4-[(4-chlorophenyl)carbonyl]phenoxy}-2-methylpropanoate; HSDB 7736; Fenofibrate,(S); GRS-027; Fenofibrate [USAN:USP:INN:BAN]; Fenofibrate(Tricor); Prestwick_217; PubChem17489; Spectrum_001250; Opera_ID_328; Prestwick0_000275; Prestwick1_000275; Prestwick2_000275; Prestwick3_000275; Spectrum2_001390; Spectrum3_001431; Spectrum4_000413; Spectrum5_001479; Lopac-F-6020; EC 256-376-3; F 6020; SCHEMBL4670; Lopac0_000486; BSPBio_000150; BSPBio_003162; KBioGR_000706; KBioSS_001730; MLS001148191; MLS002548878; BIDD:GT0574; DivK1c_000557; SPECTRUM1501010; SPBio_001380; SPBio_002369; Fenofibrate, >=99%, powder; BPBio1_000166; Fenofibrate (Tricor, Trilipix); GTPL7186; DTXSID2029874; CTK8B3039; HMS501L19; KBio1_000557; KBio2_001730; KBio2_004298; KBio2_006866; KBio3_002382; NINDS_000557; HMS1568H12; HMS1921B17; HMS2090G20; HMS2092B05; HMS2095H12; HMS2231B14; HMS3259K03; HMS3261B13; HMS3369M13; HMS3649D20; HMS3655K12; HMS3712H12; isopropyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-propanoate; Pharmakon1600-01501010; ZINC584092; ALBB-028958; BCP21243; EBD45918; ZX-AN079771; Tox21_110147; Tox21_300151; Tox21_500486; ANW-41658; BDBM50085042; BG0483; CCG-38996; GP4850; MFCD00133314; NSC281319; NSC757822; s1794; SBB037926; AKOS005107777; Tox21_110147_1; AB03716; AC-4227; API0003184; API0025994; API0026002; API0026009; CS-0892; DB01039; LP00486; MCULE-9460650238; MS-2223; NC00452; NSC-281319; NSC-757822; IDI1_000557; NCGC00015437-01; NCGC00015437-02; NCGC00015437-03; NCGC00015437-04; NCGC00015437-05; NCGC00015437-06; NCGC00015437-07; NCGC00015437-08; NCGC00015437-09; NCGC00015437-11; NCGC00015437-12; NCGC00015437-13; NCGC00015437-14; NCGC00015437-16; NCGC00015437-17; NCGC00021475-03; NCGC00021475-04; NCGC00021475-05; NCGC00021475-06; NCGC00021475-07; NCGC00021475-08; NCGC00253945-01; NCGC00261171-01; AK-88651; CC-28385; CPD000058299; FENOFIBRATE (MICRONIZED) (fenofibrate; Fenofibrate, analytical reference material; HY-17356; SAM002264613; ST085313; SBI-0050470.P003; AB0012237; AB2000298; AX8021009; DB-051642; LS-121256; TC-130403; AB00052196; EU-0100486; F0674; FT-0626400; FT-0654669; SW196525-4; KS-00000655; C07586; D00565; J10318; K-9221; 28073-EP2272825A2; 28073-EP2272841A1; 28073-EP2277565A2; 28073-EP2277566A2; 28073-EP2277567A1; 28073-EP2277568A2; 28073-EP2277569A2; 28073-EP2277570A2; 28073-EP2287163A1; 28073-EP2287165A2; 28073-EP2287166A2; 28073-EP2292280A1; 28073-EP2292620A2; 28073-EP2295409A1; 28073-EP2298742A1; 28073-EP2298776A1; 28073-EP2301923A1; 28073-EP2301936A1; 28073-EP2305678A1; 28073-EP2314588A1; AB00052196-15; AB00052196-16; AB00052196_17; AB00052196_18; 562F289; A827746; C-20905; Q419724; SR-01000000091-2; SR-01000000091-5; SR-01000000091-6; SR-01000000091-8; BRD-K50388907-001-05-6; BRD-K50388907-001-18-9; BRD-K50388907-001-20-5; SR-01000000091-16; Z2768724415; Fenofibrate, European Pharmacopoeia (EP) Reference Standard; 1-methylethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate; 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoicacidisopropylester; Fenofibrate, United States Pharmacopeia (USP) Reference Standard; Isopropyl (4''-(p-chlorobenzoyl)-2-phenoxy-2-methyl)propionate; 2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-propanoic acid,1-methylethylester; 2-[4-(4-Chlorobenzoyl)phenoxy]-2-methylpropanoic acid 1-methyl-ethyl ester; 2-[4-(4-Chlorobenzoyl)phenoxy]-2-methylpropionic Acid Isopropyl Ester; Fenofibrate, Pharmaceutical Secondary Standard; Certified Reference Material; propan-2-yl 2-[4-(4-chlorophenyl)carbonylphenoxy]-2-methyl-propanoate; propan-2-yl 2-{4-[(4-chlorophenyl)carbonyl]phenoxy}-2-methylpropanoate; 2-[4-[(4-chlorophenyl)-oxomethyl]phenoxy]-2-methylpropanoic acid propan-2-yl ester; Propanoic acid, 2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-, 1-methylethylester",
"trade_name": "Tricor",
"abbrev_name": "",
"description": "a fibric acid derivative; treat primary hypercholesterolemia, mixed dyslipidemia, severe hypertriglyceridemia",
"molecular_formula": "C20H21ClO4",
"molecular_weight": "360.8",
"state": "solid",
"clearance": "* 1.2 L/h [Eldery]",
"volume_of_distribution": "In healthy adults, the volume of distribution is 30 L. The volume of distribution is 95 L in individuals with moderate renal impairment and creatinine clearance of 50 to 90 mL/min [FDA Label].",
"route_of_elimination": "Fenofibric acid is primarily conjugated with glucuronic acid and then excreted in urine. Following oral administration in healthy volunteers, approximately 60% of a single dose of radiolabelled fenofibrate appeared in urine, primarily as fenofibric acid and its glucuronate conjugate and 25% was excreted in the feces.",
"protein_binding": "Serum protein binding is reported to be around 99% [FDA Label].",
"half_life": "20 hours",
"absorption": "Fenofibrate is well absorbed from the gastrointestinal tract. After absorption, fenofibrate is mainly excreted in the urine in the form of metabolites, primarily fenofibric acid and fenofibric acid glucuronide",
"cid": "3339",
"classification": "C",
"indications": "Aortic aneurysm; Blood triglycerides increased; Cardiac disorder; Carotid artery disease; Combined hyperlipidaemia; Coronary artery disease; Diabetic retinopathy; High density lipoprotein decreased; Hypercholesterolaemia; Hyperchylomicronaemia; Hypothyroidism; Low density lipoprotein increased; Obesity; Pancreatitis; Peripheral arterial occlusive disease; Peripheral vascular disorder; Renal failure; Renal impairment; Type 2 diabetes mellitus; Type I hyperlipidaemia; Type IV hyperlipidaemia; Weight decreased",
"side_effects": "Disturbance in sexual arousal (0.00533); Libido decreased (0.00533); Abdominal pain; Alanine aminotransferase increased; Arthralgia; Aspartate aminotransferase increased; Asthenia; Back pain; Blood creatine phosphokinase increased; Bronchitis; Chest pain; Conjunctivitis; Constipation; Dermatitis; Diarrhoea; Discomfort; Dizziness; Dyspepsia; Fatigue; Feeling abnormal; Flatulence; Gastrointestinal pain; Headache; Ill-defined disorder; Influenza; Injury; Insomnia; Liver function test abnormal; Malaise; Malnutrition; Muscle spasms; Musculoskeletal discomfort; Myalgia; Nasopharyngitis; Nausea; Pain; Pain in extremity; Pharyngitis; Pruritus; Rash; Rhinitis; Sinusitis; Upper respiratory tract infection; Urticaria",
"atc_codes": "C10BA03; C10BA04; C10AB05",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0056",
"name": "Fenoprofen",
"synonyms": "fenoprofen; 2-(3-Phenoxyphenyl)propanoic acid; 29679-58-1; 31879-05-7; Fenoprofenum; Fenoprofene; Fenoprofeno; Nalfon; Fenoprofen calcium; 2-(3-Phenoxyphenyl)propionic acid; (+-)-m-Phenoxyhydratropic acid; Fenoprofene [INN-French]; Fenoprofenum [INN-Latin]; alpha-Methyl-3-phenoxybenzeneacetic acid; Fenoprofeno [INN-Spanish]; (+-)-2-(3-Phenoxyphenyl)propionic acid; (+/-)-Fenoprofen; 2-(m-phenoxyphenyl)propionic acid; alpha-(m-phenoxyphenyl)propionic acid; CHEBI:5004; Fenoprofen calcium hydrate; HSDB 3328; EINECS 250-850-3; BRN 2118687; CHEMBL1297; Benzeneacetic acid, alpha-methyl-3-phenoxy-, (+-)-; RDJGLLICXDHJDY-UHFFFAOYSA-N; Benzeneacetic acid, .alpha.-methyl-3-phenoxy-, (.+/-.)-; Lilly 53838; Fenoprofen [USAN:BAN:INN]; Feneprofen calcium salt dihydrate; Fenoprofen Dihydrate, Calcium Salt; 3-Phenoxyhydratropic acid; Fenoprofen (USAN/INN); Lilly 53858; UNM-0000306101; FenoprofenCa; Fenoprofen [USAN:INN:BAN]; EINECS 249-770-1; 2-[3-(phenyloxy)phenyl]propanoic acid; Hydratropic acid, m-phenoxy-, (+-)-; Spectrum_001252; 53746-45-5; Prestwick0_000754; Prestwick1_000754; Prestwick2_000754; Prestwick3_000754; Spectrum2_001391; Spectrum3_000910; Spectrum4_001009; Spectrum5_001311; Lilly-53858; 3-phenoxy-hydratropic acid; Epitope ID:139975; SCHEMBL3797; BSPBio_000768; KBioGR_001477; KBioSS_001732; DivK1c_000848; SPECTRUM1501011; SPBio_001402; SPBio_002707; BPBio1_000846; GTPL4820; DTXSID9023045; BDBM54705; CTK4G3649; HMS502K10; KBio1_000848; KBio2_001732; KBio2_004300; KBio2_006868; KBio3_001860; (+/-)-m-phenoxyhydratropic acid; cid_16219353; NINDS_000848; HMS1921B19; HMS2090G18; HMS2092B07; Pharmakon1600-01501011; 2-(3-phenoxyphenyl)-propionic acid; (.+/-.)-m-Phenoxyhydratropic acid; BBL100921; CCG-39009; NSC757813; STL554715; 2-(3-Phenoxy-phenyl)-propionic acid; 2-(3-Phenoxyphenyl)propanoic acid #; AKOS005256238; alpha-(m-phenoxyphenyl)-propionic acid; DL-2-(3-phenoxyphenyl)propionic acid; DB00573; MCULE-2686503876; NSC-757813; IDI1_000848; NCGC00094887-01; NCGC00094887-02; NCGC00094887-03; AK116448; AS-30559; LS-76362; Benzeneacetic acid, |A-methyl-3-phenoxy-; SBI-0051632.P002; AB0065019; DS-017185; Hydratropic acid, m-phenoxy-, (.+/-.)-; 4CH-007316; AB00052197; Benzeneacetic acid, alpha-methyl-3-phenoxy-; ST24027516; Z4588; C06997; D02350; M-8808; AB00052197-04; AB00052197_05; AB00052197_06; Benzeneacetic acid, a-methyl-3-phenoxy-, (as)-; 879F057; calcium;2-(3-phenoxyphenyl)propanoic acid;hydrate; calcium;2-(3-phenoxyphenyl)propionic acid;hydrate; SR-05000001767; J-018559; Q2555245; SR-05000001767-1; Di-benzeneacetate, .alpha.-methyl-3-phenoxy-, calcium salt, dihydrate; N6-[2-[[4-(Diethylamino)-1-methylbu-tyl]amino]-6-methyl-4-pyrimidinyl]-2-methyl-4,6-qu-inolinediamine trihydrochloride",
"trade_name": "Nalfon",
"abbrev_name": "",
"description": "nonsteroidal anti-inflammatory drug (NSAID); anti-inflammatory analgesic and antipyretic",
"molecular_formula": "C15H14O3",
"molecular_weight": "242.27",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "99% to albumin.",
"half_life": "Plasma half-life is approximately 3 hours.",
"absorption": "Rapidly absorbed under fasting conditions, and peak plasma levels of 50 µg/mL are achieved within 2 hours after oral administration of 600 mg doses.",
"cid": "3342",
"classification": "M",
"indications": "Arthritis; Osteoarthritis; Pain; Rheumatoid arthritis",
"side_effects": "",
"atc_codes": "M01AE04",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0057",
"name": "Flufenamic Acid",
"synonyms": "flufenamic acid; 530-78-9; Fluphenamic acid; Nichisedan; Achless; Arlef; Flufacid; Fullsafe; Lanceat; Paraflu; Plostene; Tecramine; Parlef; Parlif; Surika; Flufenaminsaeure; N-(3-Trifluoromethylphenyl)anthranilic acid; Reumajust A; Acido flufenamico; Ristogen; Sastridex; Ansatin; Meralen; 2-((3-(Trifluoromethyl)phenyl)amino)benzoic acid; Fluore-200; 2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid; ANT-1; Acide flufenamique; Acidum flufenamicum; TVX 916; INF 1837; 3'-Trifluoromethyldiphenylamine-2-carboxylic acid; CI 440; NSC-82699; Flufenaminsaeure [German]; 2-[[3-(Trifluoromethyl)phenyl]amino]benzoic acid; C.I. 440; CN-27,554; UNII-60GCX7Y6BH; 2-[3-(Trifluoromethyl)anilino]benzoic acid; Benzoic acid, 2-[[3-(trifluoromethyl)phenyl]amino]-; Acido flufenamico [Italian]; NSC 219007; CCRIS 5266; C14H10F3NO2; Acide flufenamique [INN-French]; Acido flufenamico [INN-Spanish]; Acidum flufenamicum [INN-Latin]; INF-1837; 2-((3-Trifluromethyl)phenyl)aminobenzoic acid; 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID; EINECS 208-494-1; N-(m-Trifluoromethylphenyl)-2-aminobenzoic acid; Flufenamic acid [USAN:INN:BAN:JAN]; BRN 1996069; 60GCX7Y6BH; Benzoic acid, 2-((3-(trifluoromethyl)phenyl)amino)-; CHEMBL23588; N-(alpha,alpha,alpha-Trifluoro-m-tolyl)anthranilic acid; MLS000028563; CHEBI:42638; N-[3-(Trifluoromethyl)phenyl]anthranilic acid; LPEPZBJOKDYZAD-UHFFFAOYSA-N; Saal-F; NCGC00016490-06; CAS-530-78-9; Flufenamic acid, 97%; SMR000059027; N-(3-Trifluoromethylphenyl)-anthranilic acid; DSSTox_CID_3063; WLN: QVR BMR CXFFF; DSSTox_RID_76859; DSSTox_GSID_23063; FFA; Anthranilic acid, N-(alpha,alpha,alpha-trifluoro-m-tolyl)-; FLF; 2-[(3-Trifluromethyl)phenyl]aminobenzoic acid; N-[(3-Trifluoromethyl)phenyl]anthranilic acid; N-((m-Trifluoromethyl)phenyl)-2-aminobenzoic acid; N-[(m-Trifluoromethyl)phenyl]-2-aminobenzoic acid; N-[m-(Trifluoromethyl)phenyl]-2-aminobenzoic acid; SR-01000000241; Anthranilic acid,.alpha.,.alpha.-trifluoro-m-tolyl)-; N-(.alpha.,.alpha.-Trifluoro-m-tolyl)anthranilic acid; flufenamic-acid; Prestwick_220; MFCD00002422; Arlef (TN); Spectrum_001257; 1bm7; 2-(3-Trifluoromethylanilino)benzoic Acid; Opera_ID_578; Prestwick0_000203; Prestwick1_000203; Prestwick2_000203; Prestwick3_000203; Spectrum2_000789; Spectrum3_001273; Spectrum4_000102; Spectrum5_000686; EC 208-494-1; CBiol_001756; SCHEMBL17497; BSPBio_000185; BSPBio_001319; BSPBio_002866; CBDivE_012649; KBioGR_000039; KBioGR_000424; KBioGR_002267; KBioSS_000039; KBioSS_001737; KBioSS_002268; 3-14-00-00905 (Beilstein Handbook Reference); KSC911Q2R; MLS001148610; DivK1c_000581; SPECTRUM1501015; SPBio_000898; SPBio_002106; ACMC-209l43; BPBio1_000205; GTPL2447; DTXSID7023063; BCBcMAP01_000039; BDBM17636; CTK8B1828; HMS501N03; KBio1_000581; KBio2_000039; KBio2_001737; KBio2_002267; KBio2_002607; KBio2_004305; KBio2_004835; KBio2_005175; KBio2_006873; KBio2_007403; KBio3_000077; KBio3_000078; KBio3_002366; KBio3_002747; ZINC86535; cMAP_000004; NINDS_000581; Bio1_000042; Bio1_000531; Bio1_001020; Bio2_000039; Bio2_000519; Flufenamic acid (JAN/USAN/INN); HMS1361B21; HMS1568J07; HMS1791B21; HMS1921B21; HMS1989B21; HMS2089E07; HMS2092B09; HMS2095J07; HMS2232G24; HMS3371F01; HMS3402B21; HMS3652F06; HMS3712J07; Pharmakon1600-01501015; HY-B1221; KS-000015VF; NSC82699; Tox21_110452; Tox21_302111; ANW-31633; BBL001490; CCG-40167; HTS000643; NSC219007; NSC757823; s4268; SBB001140; STK985630; AKOS000265536; Tox21_110452_1; CS-4811; DB02266; KS-1143; MCULE-8606118307; NE10194; NSC-219007; NSC-757823; IDI1_000581; IDI1_033789; NCGC00016490-01; NCGC00016490-02; NCGC00016490-03; NCGC00016490-04; NCGC00016490-05; NCGC00016490-07; NCGC00016490-08; NCGC00016490-09; NCGC00016490-10; NCGC00016490-12; NCGC00023200-03; NCGC00023200-04; NCGC00023200-05; NCGC00023200-06; NCGC00023200-07; NCGC00255175-01; AK143107; CN-27544; CN-27554; LS-20583; M456; SC-17641; ST026563; N-(3-Trifluoromethylphenyl)anthranilicAcid; SBI-0051633.P002; DB-052254; RT-000369; 2-[3-(trifluoromethyl)anilino]-benzoic acid; AB00052198; FT-0603454; n-(a,a,a-trifluoro-m-tolyl)anthranilic acid; ST24038963; SW196528-3; UNM000001246003; 2-[3-(Trifluoromethyl)anilino]benzoic acid #; 2-(3-(trifluoromethyl)phenylamino)benzoic acid; 2-[(3-Trifluoromethylphenyl)amino]benzoic Acid; A13333; C13038; D01581; AB00052198-14; AB00052198_15; 530F789; Q416341; SR-01000000241-2; SR-01000000241-3; W-105772; BRD-K44067360-001-06-3; BRD-K44067360-001-16-2; F0909-0007; Flufenamic acid, analytical standard, for drug analysis; N-(.alpha.,.alpha.,.alpha.-Trifluoro-m-tolyl)anthranilic acid; Anthranilic acid, N-(.alpha.,.alpha.,.alpha.-trifluoro-m-tolyl)-",
"trade_name": "",
"abbrev_name": "FFA",
"description": "anthranilic acid derivatives (or fenamate) class of NSAID drugs; COX inhibitor; prevents formation of prostaglandins",
"molecular_formula": "C14H10F3NO2",
"molecular_weight": "281.23",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "3371",
"classification": "M",
"indications": "",
"side_effects": "",
"atc_codes": "M01AG03",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T002",
"T408"
],
"function": [
"F01",
"F010502",
"F0108",
"F0201",
"F02010102",
"F02010103",
"F0206",
"F0221",
"F0303",
"F0504",
"F070105",
"F070106"
],
"references": [
"RC01950",
"RC02571",
"RC03192",
"RC03803",
"RC04064",
"RC04188",
"RC04312",
"RC04436",
"RC04560",
"RC04765",
"RC04778",
"RC04791",
"RC04804",
"RC04817",
"RC04830",
"RC04843",
"RC04856"
]
},
{
"compound_ID": "D0058",
"name": "Flunarizine",
"synonyms": "flunarizine; Sibelium; 52468-60-7; 1-(Bis(4-fluorophenyl)methyl)-4-cinnamylpiperazine; Flunarizinum; Flunarizina; Flunarizinum [INN-Latin]; Flunarizina [INN-Spanish]; Flunarizine [INN:BAN]; UNII-R7PLA2DM0J; (E)-1-(Bis(4-fluorophenyl)methyl)-4-(3-phenyl-2-propenyl)piperazine; EINECS 257-937-5; R7PLA2DM0J; CHEMBL30008; (E)-1-[Bis-(p-fluorophenyl)methyl]-4-cinnamylpiperazine; Piperazine, 1-(bis(4-fluorophenyl)methyl)-4-(3-phenyl-2-propenyl)-, (E)-; 40218-96-0; Flunarizin; 1-[bis(4-fluorophenyl)methyl]-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine; Piperazine, 1-[bis(4-fluorophenyl)methyl]-4-(3-phenyl-2-propenyl)-, (E)-; DSSTox_CID_25616; DSSTox_RID_81005; DSSTox_GSID_45616; 1-[BIS(4-FLUOROPHENYL)METHYL]-4-CINNAMYLPIPERAZINE; Narzine; 4-((2E)-3-phenylprop-2-enyl)-1-[bis(4-fluorophenyl)methyl]piperazine; Sibelium (TN); Flunarizine (INN); CAS-52468-60-7; Flunarazine; Flunarizine2HCl; C26H26F2N2; NCGC00018102-06; EINECS 254-842-0; Prestwick2_000312; Prestwick3_000312; Spectrum5_001570; Lopac0_000527; SCHEMBL43440; SCHEMBL43441; BSPBio_000304; BSPBio_001341; BSPBio_003096; BPBio1_000336; DTXSID6045616; BCBcMAP01_000120; CHEBI:92209; cid_6365505; 1-[bis(4-fluorophenyl)methyl]-4-[(E)-cinnamyl]piperazine; CHEBI:135652; SMANXXCATUTDDT-QPJJXVBHSA-N; HMS1361D03; HMS1791D03; HMS1989D03; HMS2089H21; Tox21_110825; BDBM50017702; Piperazine, 1-(bis(4-fluorophenyl)methyl)-4-(3-phenyl-2-propenyl)-; STL477617; ZINC19360739; 1-[Bis(4-fluorophenyl)methyl]-4-[(2E)-3-phenyl-2-propenyl]piperazine; AKOS015960783; Tox21_110825_1; AC-1283; API0002726; CCG-204617; DB04841; ACM40218960; IDI1_000043; IDI1_033811; NCGC00018102-04; NCGC00018102-05; NCGC00018102-07; NCGC00018102-08; NCGC00018102-09; NCGC00018102-10; NCGC00018102-12; NCGC00024308-04; NCGC00024308-05; NCGC00024308-06; NCGC00024308-07; CC-28469; ST024768; SBI-0050510.P003; AX8130500; LS-110464; D07971; AB00053586-15; AB00053586_16; AB00053586_17; 118378-EP2270011A1; 118378-EP2275420A1; 118378-EP2280008A2; 118378-EP2298764A1; 118378-EP2298765A1; Q416237; 1-[bis-(4-Fluorophenyl)methyl]-4-cinnamylpiperazine; BRD-K12184470-300-01-8; BRD-K29582677-001-02-7; BRD-K29582677-300-05-6; BRD-K29582677-300-06-4; 1-[Bis-(4-fluoro-phenyl)-methyl]-4-(3-phenyl-allyl)-piperazine; 1-[Bis-(4-fluoro-phenyl)-methyl]-4-((E)-3-phenyl-allyl)-piperazine; Piperazine, 1-[bis(4-fluorophenyl)methyl]-4-[(2E)-3-phenyl-2-propenyl]-; 1-[Bis-(4-fluoro-phenyl)-methyl]-4-(3-phenyl-allyl)-piperazine(Flunarizine)",
"trade_name": "Sibelium",
"abbrev_name": "",
"description": "calcium antagonist; selective calcium entry blocker with calmodulin binding properties and histamine H1 blocking activity",
"molecular_formula": "C26H26F2N2",
"molecular_weight": "404.5",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "99% bound to plasma proteins",
"half_life": "18 days",
"absorption": "85% following oral administration.",
"cid": "941361",
"classification": "N",
"indications": "",
"side_effects": "",
"atc_codes": "N07CA03",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0059",
"name": "Fluoroacetate",
"synonyms": "Fluoroacetate; FCH2CO2 anion; Acetic acid, fluoro-, ion(1-); 513-62-2; Cymoric acid; Alpha-fluoroacetic acid; fluoroacetic acid, ion(1-); CHEBI:18172; CTK1H3412; DTXSID10199297; QEWYKACRFQMRMB-UHFFFAOYSA-M; NCGC00178188-01; Q27102870",
"trade_name": "Fluoroacetic acid",
"abbrev_name": "",
"description": "pesticide; inhibits the aconitase step of the citric acid cycle",
"molecular_formula": "C2H2FO2-",
"molecular_weight": "77.03",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "5236",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [
"T092"
],
"function": [
"F0203"
],
"references": [
"RC03447",
"RC03672"
]
},
{
"compound_ID": "D0060",
"name": "Fluoxetine",
"synonyms": "fluoxetine; 54910-89-3; Fluoxetin; Fluoxetina; Pulvules; Portal; Eufor; Animex-On; Fluoxetinum; Fluoxetina [Spanish]; Fluoxetinum [INN-Latin]; Fluoxetina [INN-Spanish]; Reconcile; Fluoxetine [USAN:INN:BAN]; N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine; N-Methyl-3-(p-trifluoromethylphenoxy)-3-phenylpropylamine; CHEMBL41; dl-3-(p-Trifluoromethylphenoxy)-N-methyl-3-phenylpropylamine; Methyl-[3-phenyl-3-(4-trifluoromethyl-phenoxy)-propyl]-amine; (+-)-N-Methyl-gamma-(4-(trifluoromethyl)phenoxy)benzenepropanamine; Symbyax; (+-)-N-Methyl-3-phenyl-3-((alpha,alpha,alpha-trifluoro-p-tolyl)oxy)propylamine; CHEBI:86990; RTHCYVBBDHJXIQ-UHFFFAOYSA-N; Benzenepropanamine, N-methyl-gamma-(4-(trifluoromethyl)phenoxy)-, (+-)-; Selfemra; (+/-)-Fluoxetine; NCGC00015428-08; (+/-) -Fluoxetine; Fluval; Methyl({3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl})amine; Benzenepropamine, N-methyl-gamma-(4-(trifluoromethyl)phenoxy)-, (+-)-; DSSTox_CID_3067; (+) or (-)-N-Methyl-gamma-(4-(trifluoromethyl)phenoxy)benzenepropanamine; (+) or (-)-N-Methyl-3-phenyl-3-((alpha,alpha,alpha-trifluoro-p-tolyl)oxy)propylamine; DSSTox_RID_76861; DSSTox_GSID_23067; n-methyl-3-phenyl-3-(4-(trifluoromethyl)phenoxy)propan-1-amine; N-methyl-3-phenyl-3-{[4-(trifluoromethyl)phenyl]oxy}propan-1-amine; Lilly-110140; Fluoxetine (TN); 57226-07-0; fluoxetine (Prozac); CAS-54910-89-3; Fluoxetine (USAN/INN); methyl{3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl}amine; Spectrum_001679; N-Methyl-gamma-(4-(trifluoromethyl)phenoxy)benzenepropanamine; SpecPlus_000723; Prestwick0_000511; Prestwick1_000511; Prestwick2_000511; Prestwick3_000511; Spectrum2_001658; Spectrum3_001648; Spectrum4_000613; Spectrum5_001518; Biomol-NT_000152; Epitope ID:224550; SCHEMBL8353; Lopac0_000558; BSPBio_000461; BSPBio_003375; GTPL203; KBioGR_001166; KBioSS_002159; cid_62857; DivK1c_006819; SPBio_001815; SPBio_002382; BEN445; BPBio1_000354; BPBio1_000509; CHEBI:5118; DTXSID7023067; BDBM30130; CTK8D4092; KBio1_001763; KBio2_002159; KBio2_004727; KBio2_007295; KBio3_002595; 3-(p-Trifluoromethylphenoxy)-N-methyl-3-phenylpropylamine; HMS2090H14; (+/-)-N-Methyl-3-(p-trifluoromethylphenoxy)-3-phenylpropylamine; ALBB-025606; BCP28440; HY-B0102; ZX-AN024120; Tox21_110144; (+/-)-N-Methyl-3-p-(p-trifluoromethylphenoxy)-3-phenylpropylamine; (+/-)-N-Methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propylamine]; (+/-)-N-Methyl-gamma-[4-(trifluoromethyl)phenoxy]benzenepropanamine; BBL012251; NS-140; NSC283480; SBB017267; STK734483; AKOS003663021; Tox21_110144_1; AC-8478; API0002736; CCG-204648; CS-2861; DB00472; NSC-283480; (+/-)-N-Methyl-3-phenyl-3-[(alpha,alpha,alpha-trifluoro-p-tolyl)oxy]propylamine; NCGC00015428-06; NCGC00015428-07; NCGC00015428-10; NCGC00015428-11; NCGC00015428-12; NCGC00015428-13; NCGC00015428-15; NCGC00024879-03; NCGC00024879-04; AS-44989; CC-28508; LS-31040; SC-46324; ST076807; SBI-0050541.P003; AB0107059; DB-015148; TC-070879; AB00053774; FT-0626489; D00326; EN300-199668; AB00053774-13; AB00053774-14; AB00053774_15; AB00053774_16; C-34924; L000931; Q422244; BRD-A31159102-001-01-9; BRD-A31159102-003-05-6; BRD-A31159102-003-16-3; LY-110140;LY 110140;LY110140; N-methyl 3-(p-trifluoromethylphenoxy)-3-phenylpropylamine; N-Methyl-3-phenyl-3-(p-trifluoromethylphenoxy)propylamine; Benzenepropanamine, N-methyl-|A-[4-(trifluoromethyl)phenoxy]-; benzenepropanamine, N-methyl-gamma-[4-(trifluoromethyl)phenoxy]-; N-Methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]-1-propanamine; N-Methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]-1-propanamine #; Benzenepropanamine, N-methyl-gamma-[4-(trifluoromethyl)phenoxy]-, (+/-)-; methyl{3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl}amine hydrochloride; N-methyl-3-[4-(trifluoromethyl)phenoxy]-3-(3-tritiophenyl)propan-1-amine; N-methyl-3-phenyl-3-[(alpha,alpha,alpha-trifluoro-p-tolyl)oxy]propylamine; (.+/-.)-N-Methyl-3-phenyl-3-[(.alpha.,.alpha.,.alpha.-trifluoro-p-tolyl)oxy]propylamine; (.+/-.)-N-Methyl-3-phenyl-3-[(.alpha.,la,.alpha.-trifluoro-p-tolyl)oxy]propylamine; Benzenepropanamine, N-methyl-.gamma.-[4-(trifluoromethyl)phenoxy]-, (.+/-.)-",
"trade_name": "Prozacm, Sarafem, Adofen",
"abbrev_name": "",
"description": "selective serotonin reuptake inhibitor (SSRI); 2nd generation antidepressant;",
"molecular_formula": "C17H18F3NO",
"molecular_weight": "309.33",
"state": "solid",
"clearance": "",
"volume_of_distribution": "* 20-45 L/kg",
"route_of_elimination": "The primary route of elimination appears to be hepatic metabolism to inactive metabolites excreted by the kidney. The S-enantiomer is eliminated more slowly and is the predominant enantiomer present at steady state.",
"protein_binding": "94.5% bound to human serum proteins, including albumin and alpha-1-glycoprotein.",
"half_life": "1-3 days [acute administration];\n4-6 days [chronic administration];\n4-16 days [norfluoxetine, acute and chronic administration].",
"absorption": "Well absorbed from the GI tract following oral administration. Oral bioavailability is estimated to be at least 60-80%. Peak plasma concentrations occur within 6-8 hours following a single oral administration of a 40 mg dose. The oral solution and delayed-release capsule are bioequivalent. Food does not affect the systemic bioavailability of fluoxetine but it delays the absorption by 1-2 hours (not clinically significant). Prozac Weekly capsules, a delayed–release formulation, contain enteric–coated pellets that resist dissolution until reaching a segment of the gastrointestinal tract where the pH exceeds 5.5. The enteric coating delays the onset of absorption of fluoxetine 1 to 2 hours relative to the immediate–release formulations.",
"cid": "3386",
"classification": "N",
"indications": "Abdominal discomfort; Abdominal distension; Affect lability; Affective disorder; Agitation; Agoraphobia; Anger; Anxiety; Asthenia; Binge eating; Bipolar I disorder; Bradyphrenia; Breast tenderness; Chest pain; Chills; Choking sensation; Compulsions; Depressed mood; Discomfort; Disturbance in attention; Drug abuse; Drug interaction; Dysphoria; Dyspnoea; Dysthymic disorder; Emotional distress; Fatigue; Fear of death; Feeling guilty; Flatulence; Foetor hepaticus; Headache; Hepatocellular injury; Hot flush; Hyperhidrosis; Hypersomnia; Hypoaesthesia; Insomnia; Irritability; Malaise; Menopausal symptoms; Mental disability; Mood swings; Musculoskeletal discomfort; Myalgia; Nausea; Nephropathy; Obsessive-compulsive disorder; Obsessive rumination; Obsessive thoughts; Panic attack; Panic disorder; Panic reaction; Premenstrual dysphoric disorder; Premenstrual syndrome; Purging; Renal failure; Renal impairment; Sensory loss; Suicidal ideation; Suicide attempt; Swelling; Tension; Tourette's disorder; Tremor; Vomiting; Weight increased",
"side_effects": "Abdominal pain; Abnormal dreams; Affect lability; Anxiety; Asthenia; Back pain; Body temperature increased; Constipation; Decreased appetite; Depression; Dermatitis; Diarrhoea; Disturbance in sexual arousal; Dizziness; Dry mouth; Dysmenorrhoea; Dyspepsia; Ejaculation disorder; Erectile dysfunction; Flatulence; Gastrointestinal disorder; Gastrointestinal pain; Headache; Hyperhidrosis; Infection; Influenza; Injury; Insomnia; Libido decreased; Menstrual disorder; Mental disability; Mood swings; Musculoskeletal discomfort; Myalgia; Nausea; Nervousness; Pain; Palpitations; Pharyngitis; Pollakiuria; Pruritus; Rash; Rhinitis; Sinusitis; Somnolence; Tension; Thinking abnormal; Tremor; Upper respiratory tract infection; Urinary tract infection; Visual impairment; Vomiting; Weight decreased; Yawning",
"atc_codes": "N06AB03; N06CA03",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T004",
"T005",
"T409"
],
"function": [
"F010503",
"F0201",
"F020103",
"F020403",
"F0306",
"F030802",
"F0401"
],
"references": [
"RC03585",
"RC03821",
"RC04748",
"RC04750",
"RC04752",
"RC04754",
"RC04756",
"RC04758",
"RC04760",
"RC04762",
"RC04764",
"RC04884"
]
},
{
"compound_ID": "D0061",
"name": "Fluphenazine",
"synonyms": "FLUPHENAZINE; Triflumethazine; Fluorophenazine; Fluorphenazine; Fluorfenazine; 69-23-8; Siqualon; Elinol; Phthorphenazine; Ftorphenazine; Siqualine; Vespazine; Pacinol; Sevinol; Flufenazina; Fluphenazinum; Valamina; Flufenazin; Dapotum; Flufenazina [DCIT]; SQ 4918; Fluphenazine [INN:BAN]; Moditen (Tabl or elixir); 2-(4-(3-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)propyl)piperazin-1-yl)ethanol; Fluphenazinum [INN-Latin]; 10-(3-(2-Hydroxyethyl)piperazinopropyl)-2-(trifluoromethyl)phenothiazine; UNII-S79426A41Z; HSDB 3334; 4-(3-(2-Trifluoromethyl-10-phenothiazyl)-propyl)-1-piperazineethanol; EINECS 200-702-9; NSC 62323; S94; C22H26F3N3OS; 4-(3-(-Trifluoromethyl-10-phenothiazyl)-propyl)-1-piperazineethanol; 1-(2-Hydroxyethyl)-4-(3-(trifluoromethyl-10-phenothiazinyl)propyl)-piperazine; 1-Piperazineethanol, 4-(3-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)propyl)-; 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol; 4-(3-(2-(Trifluoromethyl)-10H-phenothiazin-10-yl)propyl)-1-piperazineethanol; CHEBI:5123; PLDUPXSUYLZYBN-UHFFFAOYSA-N; Calmansial; 1-(2-Hydroxyethyl)-4-[3-(trifluoromethyl-10-phenothiazinyl)propyl]piperazine; 10-(3'-(4\"-(beta-Hydroxyethyl)-1\"-piperazinyl)-propyl)-3-trifluoromethylphenothiazine; 10-(3'-(4''-(beta-Hydroxyethyl)-1''-piperazinyl)-propyl)-3-trifluoromethylphenothiazine; 2-(Trifluoromethyl)-10-(3-(1-(beta-hydroxyethyl)-4-pipe razinyl)propyl)phenothiazine; Phenothiazine, 10-(3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)-2-(trifluoromethyl)-; S79426A41Z; NCGC00015436-07; Yespazine; DSSTox_CID_3068; 1-Piperazineethanol, 4-[3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl]-; 2-(4-{3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl}piperazin-1-yl)ethanol; DSSTox_RID_76862; DSSTox_GSID_23068; MLS001076508; 4-[3-(2-Trifluoromethyl-10-phenothiazyl)-propyl]-1-piperazineethanol; 1-Piperazineethanol, 4-(3-(2-(trifluoromethyl)phenothiazin-10-yl)propyl)-; 2-(4-{3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl}piperazin-1-yl)ethan-1-ol; 4-[3-[2-(Trifluoromethyl)-10H-phenothiazin-10-yl]propyl]-1-piperazineethanol; CAS-69-23-8; Moditen (TN); Fluphenazine (INN); NSC62323; 78126-11-1; flufenazine; Fluphenazin; A 4077; 1-Piperazineethanol, 4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]-; Permitil (Salt/Mix); Prolixin (Salt/Mix); Tensofin (Salt/Mix); Anatensol (Salt/Mix); Prolixine (Salt/Mix); Spectrum_000289; Prestwick0_000320; Prestwick1_000320; Prestwick2_000320; Prestwick3_000320; Spectrum2_001199; Spectrum3_001420; Spectrum4_000828; Spectrum5_001536; Lopac-F-4765; ChemDiv1_024180; Biomol-NT_000023; CHEMBL726; Probes1_000254; Probes2_000295; cid_3372; BIDD:PXR0184; Lopac0_000555; SCHEMBL19221; BSPBio_000320; BSPBio_003100; GTPL204; KBioGR_001375; KBioGR_002386; KBioSS_000769; KBioSS_002391; DivK1c_000511; SPBio_001277; SPBio_002539; BPBio1_000352; BPBio1_001187; DTXSID2023068; BDBM78433; cid_6602611; CTK8F9822; HMS655L02; KBio1_000511; KBio2_000769; KBio2_002386; KBio2_003337; KBio2_004954; KBio2_005905; KBio2_007522; KBio3_002320; KBio3_002865; cMAP_000035; NINDS_000511; HMS2089C16; BCP21399; Tox21_110146; 0680AC; BG0198; MFCD00242759; STK050763; ZINC19203912; 4-(3-(2-(trifluoromethyl)phenothiazin-10-yl)propyl)-1-Piperazineethanol; AKOS001659031; Tox21_110146_1; API0006719; CCG-204645; DB00623; MCULE-7579992672; 2-(4-(3-[2-(Trifluoromethyl)-10H-phenothiazin-10-yl]propyl)-1-piperazinyl)ethanol; 2-(Trifluoromethyl)-10-(3-(1-(beta-hydroxyethyl)-4-piperazinyl)propyl)phenothiazine; 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol dihydrochloride; IDI1_000511; MRF-0000359; NCGC00015436-01; NCGC00015436-02; NCGC00015436-03; NCGC00015436-04; NCGC00015436-05; NCGC00015436-06; NCGC00015436-08; NCGC00015436-09; NCGC00015436-11; NCGC00024429-03; NCGC00024429-04; CAS-146-56-5; S 94; SBI-0050538.P003; AX8130619; Fluorfenazine pound (3/4)<<EnAa pound(c); LS-112565; AB00053587; 1451-EP2272537A2; 1451-EP2298776A1; C07010; D07977; Q58376; AB00053587-18; AB00053587_19; A836405; L000257; SR-01000003048-5; BRD-K55127134-001-01-7; BRD-K55127134-300-05-4; BRD-K55127134-300-07-0; 1-Piperazineethanol, 4-(3-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)propyl)- (9CI); 2-(4-(3-[2-(Trifluoromethyl)-10H-phenothiazin-10-yl]propyl)-1-piperazinyl)ethanol #; 2-[4-[3-[2-(trifluoromethyl)-10-phenothiazinyl]propyl]-1-piperazinyl]ethanol; 2-[4-[3-[2-(trifluoromethyl)-10-phenothiazinyl]propyl]-1-piperazinyl]ethanol;hydrochloride; 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol;hydrochloride; 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazino]ethanol;hydrochloride",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C22H26F3N3OS",
"molecular_weight": "437.5",
"state": "liquid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "3372",
"classification": "N",
"indications": "Convulsion; Psychotic disorder; Renal failure; Renal impairment",
"side_effects": "",
"atc_codes": "N05AB02",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0062",
"name": "Flutamide",
"synonyms": "flutamide; 13311-84-7; Niftolide; Eulexin; Niftholide; NFBA; Drogenil; 2-Methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide; niftolid; Flutamidum; Flutamida; Flutamin; Cebatrol, veterinary; Sch 13521; Sch-13521; 4'-Nitro-3'-trifluoromethylisobutyranilide; Ham's F-12 medium; Flutamidum [INN-Latin]; Flutamida [INN-Spanish]; 2-Methyl-N-(4-nitro-3-[trifluoromethyl]phenyl)propanamide; Flutamide(Eulexin); NSC 215876; Flutamide (Eulexin); CCRIS 7246; Propanamide, 2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-; UNII-76W6J0943E; C11H11F3N2O3; EINECS 236-341-9; CHEMBL806; alpha,alpha,alpha-Trifluoro-2-methyl-4'-nitro-m-propionotoluidide; BRN 2157663; 4-Nitro-3-(trifluoromethyl)isobutyranilide; CHEBI:5132; N-(4-NITRO-3-(TRIFLUOROMETHYL)PHENYL)ISOBUTYRAMIDE; Propanamide, 2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)-; MKXKFYHWDHIYRV-UHFFFAOYSA-N; 76W6J0943E; NCGC00015452-09; CPD000058187; Eulexine; Chimax; 4'-Nitro-3'-trifluoromethylisobutyramilide; CAS-13311-84-7; DSSTox_CID_11121; DSSTox_RID_78899; DSSTox_GSID_32004; Flutamide USP25; Prostandril; Odyne; m-Propionotoluidide, 2-methyl-4'-nitro-alpha,alpha,alpha-triflouro-; SMR000058187; Eulexin (TN); Flutamide [USAN:BAN:INN]; m-Propionotoluidide,.alpha.,.alpha.-trifluoro-; SR-01000075888; SCH13521; N1-[4-nitro-3-(trifluoromethyl)phenyl]-2-methylpropanamide; Flutamid; .alpha.,.alpha.-Trifluoro-2-methyl-4'-nitro-m-propionotoluidide; m-Propionotoluidide,.alpha.,.alpha.-trifluoro-2-methyl-4'-nitro-; 4'-Nitro-3'-(trifluoromethyl)isobutyranilide; Flutamide [USAN:USP:INN:BAN]; Flutamide,(S); Prestwick_228; MFCD00072009; NK-601; ACMC-20hidt; PubChem13536; Spectrum_001210; 2-Methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propionamide; Prestwick0_000180; Prestwick1_000180; Prestwick2_000180; Prestwick3_000180; Spectrum2_001201; Spectrum3_001421; Spectrum4_000829; Spectrum5_001450; Lopac-F-9397; F0663; Flutamide (pubertal study); F 9397; SCHEMBL3934; Lopac0_000557; BSPBio_000079; BSPBio_003122; KBioGR_001377; KBioSS_001690; MLS000069634; MLS001065596; MLS002548892; DivK1c_000459; SPECTRUM1500995; SPBio_000982; SPBio_002000; Flutamide (JP17/USP/INN); BPBio1_000087; GTPL6943; DTXSID7032004; SCHEMBL12932289; CTK4B8363; HMS501G21; KBio1_000459; KBio2_001690; KBio2_004258; KBio2_006826; KBio3_002342; NINDS_000459; HMS1568D21; HMS1921O16; HMS2090I18; HMS2092O14; HMS2095D21; HMS2230P19; HMS3259I03; HMS3261P15; HMS3373C12; HMS3655G22; HMS3712D21; Pharmakon1600-01500995; BCP23006; HY-B0022; m-propionotoluidide,alpha,alpha,alpha-trifluoro-2-methyl-4'-nitro; ZINC3812944; Tox21_110154; Tox21_202169; Tox21_300536; Tox21_500557; BDBM50131270; CCG-39105; NSC147834; NSC215876; NSC757817; s1908; SBB006930; AKOS001025465; AKOS025243203; m-Propionotoluidide, .alpha.,.alpha.,.alpha.-trifluoro-2-methyl-4'-nitro-; Tox21_110154_1; AB02835; CS-2359; DB00499; KS-5091; LP00557; LS-2105; MCULE-7498839065; NC00451; NSC-147834; NSC-215876; NSC-757817; IDI1_000459; KS-00000L22; NCGC00015452-01; NCGC00015452-02; NCGC00015452-03; NCGC00015452-04; NCGC00015452-05; NCGC00015452-06; NCGC00015452-07; NCGC00015452-08; NCGC00015452-10; NCGC00015452-11; NCGC00015452-12; NCGC00015452-13; NCGC00015452-14; NCGC00015452-15; NCGC00015452-16; NCGC00015452-19; NCGC00015452-20; NCGC00091460-01; NCGC00091460-02; NCGC00091460-03; NCGC00091460-04; NCGC00091460-05; NCGC00091460-06; NCGC00091460-07; NCGC00091460-08; NCGC00091460-09; NCGC00254495-01; NCGC00259718-01; NCGC00261242-01; AC-24192; AK499646; SAM002264612; SC-12180; ST058409; SBI-0050540.P003; AB0005010; AB1010911; DB-042163; 3'-Trifluoromethyl-4'-Nitro-Isobutyranilide; AB00052188; EU-0100557; FT-0626493; SW196536-4; 4''-nitro-3''-trifluoromethylisobutyranilide; C07653; D00586; J10037; K-4175; AB00052188-09; AB00052188_10; AB00052188_11; 311F847; A806562; Q418669; Q-201131; SR-01000075888-1; SR-01000075888-6; SR-01000075888-7; SR-01000075888-9; BRD-K28307902-001-05-0; Flutamide, certified reference material, TraceCERT(R); Z56755651; a,a,a-Trifluoro-2-methyl-4'-nitro- m-propionotoluidide; Flutamide, European Pharmacopoeia (EP) Reference Standard; 2-Methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide #; Flutamide, United States Pharmacopeia (USP) Reference Standard; Propanamide,2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-; alpha,alpha,alpha-trifluoro-2-methyl-4''-nitro-m-propionotoluidide; m-Propionotoluidide, alpha,alpha,alpha-trifluoro-2-methyl-4'-nitro-; .alpha.,.alpha.,.alpha.-Trifluoro-2-methyl-4'-nitro-m-propionotoluidide; m-Propionotoluidide, 2-methyl-4'-nitro-.alpha.,.alpha.,.alpha.-trifluoro-; m-Propionotoluidide, alpha,alpha,alpha-trifluoro-2-methyl-4'-nitro- (8CI); Flutamide for system suitability, European Pharmacopoeia (EP) Reference Standard; 37209-54-4; PUBERTAL FLUTAMIDE STUDY (PUBERTAL STUDIES OF VINCLOZOLIN; METHOXYCHLOR; ETHINYL ESTRADIOL)",
"trade_name": "Eulexin",
"abbrev_name": "",
"description": "nonsteroidal antiandrogen (NSAA)",
"molecular_formula": "C11H11F3N2O3",
"molecular_weight": "276.21",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "Flutamide and its metabolites are excreted mainly in the urine with only 4.2% of a single dose excreted in the feces over 72 hours.",
"protein_binding": "94-96%",
"half_life": "The plasma half-life for the alpha-hydroxylated metabolite of flutamide (an active metabolite) is approximately 6 hours.",
"absorption": "Rapidly and completely absorbed.",
"cid": "3397",
"classification": "L",
"indications": "Benign prostatic hyperplasia; Metastatic neoplasm; Neoplasm malignant; Prostate cancer metastatic",
"side_effects": "Bladder pain (0.16); Rash (0.08); Diarrhoea; Haematuria; Rectal haemorrhage",
"atc_codes": "L02BB01",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T002",
"T408"
],
"function": [
"F0108",
"F0201",
"F02010202",
"F020103",
"F02040101",
"F020403",
"F0303"
],
"references": [
"RC00530",
"RC00531",
"RC00931",
"RC00983",
"RC04065",
"RC04189",
"RC04313",
"RC04437",
"RC04561",
"RC04871",
"RC04897"
]
},
{
"compound_ID": "D0063",
"name": "Gemfibrozil",
"synonyms": "gemfibrozil; 25812-30-0; 5-(2,5-Dimethylphenoxy)-2,2-dimethylpentanoic acid; Lopid; Decrelip; Jezil; Lipur; Bolutol; Apo-Gemfibrozil; Gemfibromax; Cholespid; Fibratol; Fibrocit; Gemfibril; Gemlipid; Hipolixan; Lipazil; Litarek; Trialmin; Ausgem; Pilder; CI-719; Gemfibrozilo; Gemfibrozilum; Ipolipid; Lanaterom; Lifibron; Normolip; Progemzal; Renabrazin; Synbrozil; Taborcil; Brozil; Clearol; Elmogan; Fetinor; Gemnpid; Innogen; Lipigem; Lipira; Lipizyl; Micolip; Polyxit; Reducel; Regulip; Sinelip; Tentroc; Gozid; Hidil; Gemd; WL-Gemfibrozil; Gevilon Uno; Gen-Fibro; Low-Lip; 2,2-Dimethyl-5-(2,5-xylyloxy)valeric acid; Gem-S; Pentanoic acid, 5-(2,5-dimethylphenoxy)-2,2-dimethyl-; Gemfibrozilum [INN-Latin]; Gemfibrozilo [INN-Spanish]; 2,2-Dimethyl-5-(2,5-xylyloxy)valeriansaeure; 2,2-Dimethyl-5-(2,5-dimethylphenoxy)valeriansaeure; CI 719; CCRIS 318; Gemfibrozil (Lopid); UNII-Q8X02027X3; EINECS 247-280-2; CHEMBL457; Valeric acid, 2,2-dimethyl-5-(2,5-xylyloxy)-; BRN 1881200; MLS000028421; CHEBI:5296; Gemfibrosil; HEMJJKBWTPKOJG-UHFFFAOYSA-N; Gemfibrozil, 98%; 2,2-Dimethyl-5-(2,5-dimethylphenoxy)pentanoic acid; 5-(2,5-dimethylphenoxy)-2,2-dimethyl-pentanoic acid; Q8X02027X3; 5-[(2,5-dimethylphenyl)oxy]-2,2-dimethylpentanoic acid; NCGC00016794-09; CPD000058393; Lipozid; SMR000058393; CAS-25812-30-0; DSSTox_CID_652; Lopid R; DSSTox_RID_75712; DSSTox_GSID_20652; W-107216; Innogem; Gemcor; Gemfibrozil [USAN:BAN:INN]; Lopid (TN); TEVA-A; SR-01000000056; Gemfibrozil (JAN/USP/INN); HSDB 7735; Gemfibrozil,(S); Gemfibrozil(Lopid); Gemfibrozil [USAN:USP:INN:BAN]; Prestwick_637; dimethylpentanoic acid; 5-(2,5-Dimethyl-Phenoxy)-2,2-Dimethyl-Pentanoic Acid; Spectrum_000825; Opera_ID_1658; Prestwick0_000214; Prestwick1_000214; Prestwick2_000214; Prestwick3_000214; Spectrum2_001097; Spectrum3_000440; Spectrum4_000562; Spectrum5_000750; Spectrum5_001991; SCHEMBL4813; BSPBio_000227; BSPBio_002060; KBioGR_000964; KBioSS_001305; Gemcor;Jezil;Gen-Fibro;Lopid; MLS001055364; MLS006011850; ARONIS24091; DivK1c_000138; SPECTRUM1500313; SPBio_001174; SPBio_002148; BPBio1_000251; GTPL3439; Gemfibrozil, analytical standard; DTXSID0020652; HMS500G20; KBio1_000138; KBio2_001305; KBio2_003873; KBio2_006441; KBio3_001280; BBC/228; NINDS_000138; HMS1568L09; HMS1920B07; HMS2090K14; HMS2091H11; HMS2095L09; HMS2230H24; HMS3259M12; HMS3655C06; HMS3712L09; Pharmakon1600-10500313; 5-(2,5-dimethylphenoxy)-2,2-; BB_SC-04837; BCP08437; GEMFIBROZIL (SEE ALSO PEROXISOME PROJECT (GEMFIBROZIL)); HY-B0258; KS-00000VK6; KS-000046JO; PEROXISOME PROJECT (GEMFIBROZIL) (SEE ALSO GEMFIBROZIL); ZINC1530641; ZX-AS004442; Tox21_110613; Tox21_201997; Tox21_302784; A0G461; BBL010807; BDBM50110590; BG0205; CCG-40111; CG0035; DL-414; GP1460; MFCD00079335; NSC757024; s1729; SBB012457; STK618740; AKOS001606691; Tox21_110613_1; AB03034; AC-4225; API0002816; CS-2244; DB01241; KS-5192; LS-1085; MCULE-4563546953; NC00565; NSC-757024; VA11004; IDI1_000138; SEL11160931; NCGC00016794-01; NCGC00016794-02; NCGC00016794-03; NCGC00016794-04; NCGC00016794-05; NCGC00016794-06; NCGC00016794-07; NCGC00016794-08; NCGC00016794-10; NCGC00016794-11; NCGC00016794-13; NCGC00016794-14; NCGC00022722-03; NCGC00022722-04; NCGC00022722-05; NCGC00022722-06; NCGC00022722-07; NCGC00256601-01; NCGC00259546-01; AK309283; CC-28946; H900; SAM002564211; SC-17669; ST072198; SBI-0051391.P003; AB0013344; AB2000253; AX8032912; 2,2-Dimethyl-5-(2,5-zlyloxy)valeric acid; AB00052003; FT-0626641; FT-0700924; G0368; SW196802-3; C07020; D00334; J10068; Z-0832; AB00052003-15; AB00052003-16; AB00052003_17; AB00052003_18; A818037; C-15436; Q384295; 2,2-Dimethyl-5-(2,5-dimethylphenoxy)valeric Acid; SR-01000000056-3; SR-01000000056-4; SR-01000000056-6; SR-01000000056-7; 2,2-Dimethyl-5-(2,5-dimethylphenoxy)-pentanoic acid; BRD-K11129031-001-05-1; Gemfibrozil, British Pharmacopoeia (BP) Reference Standard; Gemfibrozil, European Pharmacopoeia (EP) Reference Standard; Gemfibrozil, United States Pharmacopeia (USP) Reference Standard; Gemfibrozil, Pharmaceutical Secondary Standard; Certified Reference Material; Gemfibrozil for system suitability, European Pharmacopoeia (EP) Reference Standard; 4TX",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C15H22O3",
"molecular_weight": "250.33",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "Approximately seventy percent of the administered human dose is excreted in the urine, mostly as the glucuronide conjugate, with less than 2% excreted as unchanged gemfibrozil.",
"protein_binding": "0.95",
"half_life": "1.5 hours",
"absorption": "Well absorbed from gastrointestinal tract (within 1-2 hours).",
"cid": "3463",
"classification": "C",
"indications": "Abdominal pain; Acute coronary syndrome; Blood triglycerides increased; Combined hyperlipidaemia; Coronary artery disease; Dyslipidaemia; Fasting; Gastrointestinal pain; Hypercholesterolaemia; Hypothyroidism; Low density lipoprotein increased; Myocardial infarction; Pancreatitis; Type IV hyperlipidaemia; Type V hyperlipidaemia; Weight decreased; Xanthoma",
"side_effects": "Abdominal pain; Abdominal pain upper; Appendicitis; Asthenia; Atrial fibrillation; Chest pain; Constipation; Dermatitis; Diarrhoea; Dizziness; Dyspepsia; Eczema; Fatigue; Flatulence; Gastrointestinal disorder; Gastrointestinal pain; Gout; Headache; Musculoskeletal pain; Nausea; Pain; Paraesthesia; Pruritus; Rash; Urticaria; Vertigo; Vision blurred; Vomiting",
"atc_codes": "C10AB04",
"group": "Drug",
"drug_type": "",
"target": [
"T001"
],
"function": [
"F0105",
"F020103"
],
"references": [
"RC01045",
"RC01070",
"RC01087"
]
},
{
"compound_ID": "D0064",
"name": "Haloperidol",
"synonyms": "haloperidol; 52-86-8; Haldol; Aloperidin; Serenace; Aloperidol; Brotopon; Eukystol; Einalon S; Aloperidolo; Galoperidol; Halojust; Halopoidol; Serenase; Serenelfi; Ulcolind; Uliolind; Vesalium; Halopal; Linton; Mixidol; Pernox; Sernas; Sernel; Dozic; Aldo; Lealgin compositum; Keselan; Peluces; Bioperidolo; Haloperidolum; Haldol Solutab; McN-JR-1625; Aloperidon; Fortunan; Aloperidolo [DCIT]; 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one; Aloperidolo [Italian]; Haloperidolum [INN-Latin]; NSC 170973; R 1625; R-1625; C21H23ClFNO2; 1-(3-p-Fluorobenzoylpropyl)-4-p-chlorophenyl-4-hydroxypiperidine; UNII-J6292F8L3D; CCRIS 1630; Haloperidol (Haldol); 4'-Fluoro-4-(4-(p-chlorophenyl)-4-hydroxypiperidinyl)butyrophenone; 4'-Fluoro-4-(4-hydroxy-4-(4'-chlorophenyl)piperidino)butyrophenone; HSDB 3093; CHEMBL54; EINECS 200-155-6; Sigaperidol; Haldol (TN); NSC 615296; 4-(4-Hydroxy-4'-chloro-4-phenylpiperidino)-4'-fluorobutyrophenone; BRN 0331267; 1-Butanone, 4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]-1-(4-fluorophenyl)-; 4-(4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-1-butanone; 4-[4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl]-1-(4-fluorophenyl)-1-butanone; MLS000028450; CHEBI:5613; Halosten; LNEPOXFFQSENCJ-UHFFFAOYSA-N; 4-(4-(p-Chlorophenyl)-4-hydroxypiperidino)-4'-fluorobutyrophenone; 4-[4-(p-Chlorophenyl)-4-hydroxypiperidino]-4'-fluorobutyrophenone; J6292F8L3D; Butyrophenone, 4'-fluoro-4-(4-(p-chlorophenyl)-4-hydroxypiperidino)-; 1-Butanone, 4-(4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-; 4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one; NSC170973; NSC615296; CAS-52-86-8; NCGC00015500-10; Halidol; Halopidol; Pekuces; SMR000058303; 4'-Fluoro-4-(4-hydroxy-4-p-chlorophenylpiperidino)butyrophenone; Halol; 4-[4-(4-Chlorophenyl)-4-hydroxypiperidino]-4'-fluorobutyrophenone; gamma-(4-(p-Chlorophenyl)-4-hydroxypiperidino)-p-fluorbutyrophenone; 4-(4-(para-Chlorophenyl)-4-hydroxypiperidino)-4'-fluorobutyrophenone; Butyrophenone, 4-(4-(p-chlorophenyl)-4-hydroxypiperidino)-4'-fluoro-; gamma-(4-(p-Chlorophenyl)-4-hydroxypiperidino)-p-fluorobutyrophenone; 4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]-1-(4-fluorophenyl)-butan-1-one; DSSTox_CID_14150; DSSTox_RID_79117; DSSTox_GSID_34150; W-105791; Butyrophenone, 4-[4-(p-chlorophenyl)-4-hydroxypiperidino]-4'-fluoro-; gamma-(4-(p-Chlorophenyl)-4-hydroxpiperidino)-p-fluorbutyrophenone; SR-01000003076; Haloperidol [USAN:INN:BAN:JAN]; Duraperidol; 4'-Fluoro-4-[4-hydroxy-4-(4'-chlorophenyl)piperidino]butyrophenone; gamma-[4-(p-chlorophenyl)-4-hydroxypiperidino]-p-fluorobutyrophenone; 4-[4-(para-Chlorophenyl)-4-hydroxypiperidino]-4'-fluorobutyrophenone; Picroside-III; Haloperidol, 1; Haloperidol, powder; Haloperidol(Haldol); Prestwick_250; Haloperidol [USAN:USP:INN:BAN:JAN]; MDMO-PPV; Spectrum_000861; Tocris-0931; Opera_ID_446; 4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1-(4-fluoro-phenyl)-butan-1-one;propionate(HCl); Prestwick0_000115; Prestwick1_000115; Prestwick2_000115; Prestwick3_000115; Spectrum2_001268; Spectrum3_000448; Spectrum4_000570; Spectrum5_000788; Lopac-H-1512; Biomol-NT_000035; GTPL86; Probes1_000255; Probes2_000296; H 1512; SCHEMBL8264; Lopac0_000583; Oprea1_509923; BSPBio_000130; BSPBio_002096; KBioGR_000980; KBioGR_002390; KBioSS_001341; KBioSS_002395; 5-21-02-00377 (Beilstein Handbook Reference); 61788-97-4; MLS001146904; BIDD:GT0128; DivK1c_000654; SPECTRUM1500325; SPBio_001236; SPBio_002069; McM-JR-1625; BPBio1_000144; BPBio1_001231; Haloperidol (JP17/USP/INN); DTXSID4034150; BDBM21398; HMS502A16; KBio1_000654; KBio2_001341; KBio2_002390; KBio2_003909; KBio2_004958; KBio2_006477; KBio2_007526; KBio3_001316; KBio3_002869; LNEPOXFFQSENCJ-UHFFFAOYSA-; AOB5645; cMAP_000037; NINDS_000654; AC250; HMS1568G12; HMS1920D03; HMS2089M15; HMS2091J09; HMS2095G12; HMS2234P08; HMS3261F08; HMS3370H11; HMS3657I13; HMS3712G12; Pharmakon1600-01500325; ZINC537822; Haloperidol 1.0 mg/ml in Methanol; Tox21_110162; Tox21_300475; Tox21_500583; A0H334; BG0211; CCG-36042; CCG-39111; MFCD00051423; NSC757054; STL417208; 4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]-1-(4-fluorophenyl)butan-1-one; AKOS000280660; Tox21_110162_1; API0002885; CS-1971; DB00502; LP00583; MCULE-3693790133; NSC-170973; NSC-615296; NSC-757054; IDI1_000654; MRF-0000027; QTL1_000042; WLN: T6NTJ A3VR DF& DQ DR DG; NCGC00015500-01; NCGC00015500-02; NCGC00015500-03; NCGC00015500-04; NCGC00015500-05; NCGC00015500-06; NCGC00015500-07; NCGC00015500-08; NCGC00015500-09; NCGC00015500-11; NCGC00015500-12; NCGC00015500-13; NCGC00015500-14; NCGC00015500-15; NCGC00015500-16; NCGC00015500-17; NCGC00015500-19; NCGC00016234-01; NCGC00023875-02; NCGC00023875-04; NCGC00023875-05; NCGC00023875-06; NCGC00023875-07; NCGC00023875-08; NCGC00023875-09; NCGC00254503-01; NCGC00261268-01; 177716-59-5; AC-19691; CC-16450; HY-14538; LS-48311; SC-81035; ACM1189986591; SBI-0050565.P004; AB2000375; SC 170973; TR-018722; AB00052008; EU-0100583; FT-0669100; FT-0697842; N1910; S1920; ST50319916; SW196557-4; W0039; 4763-EP2269989A1; 4763-EP2269990A1; 4763-EP2272537A2; 4763-EP2272972A1; 4763-EP2272973A1; 4763-EP2275420A1; 4763-EP2277872A1; 4763-EP2277876A1; 4763-EP2292614A1; 4763-EP2295061A1; 4763-EP2295412A1; 4763-EP2295413A1; 4763-EP2295439A1; 4763-EP2298731A1; 4763-EP2298776A1; 4763-EP2305260A1; 4763-EP2308867A2; 4763-EP2308870A2; 4763-EP2311801A1; 4763-EP2311803A1; 4763-EP2311824A1; 4763-EP2311837A1; 4763-EP2316834A1; C01814; D00136; VU0239704-10; AB00052008-21; AB00052008-22; AB00052008_23; AB00052008_24; C-35402; L000288; Q251347; SR-01000003076-2; SR-01000003076-8; BRD-K67783091-001-04-8; BRD-K67783091-001-05-5; BRD-K67783091-003-03-6; SR-01000003076-11; Haloperidol, European Pharmacopoeia (EP) Reference Standard; Poly[2-methoxy-5-(3,7-dimethyoctyoxyl)-1,4-phenylenevinylene]; .gamma.-[4-(p-Chlorphenyl)-4-hydroxpiperidino]-p-fluorbutyrophenone; Haloperidol, United States Pharmacopeia (USP) Reference Standard; .gamma.-(4-(p-Chlorophenyl)-4-hydroxpiperidino)-p-fluorbutyrophenone; 4-[4-(4-chlorophenyl)-4-hydroxypiperidyl]-1-(4-fluorophenyl)butan-1-one; Haloperidol, Pharmaceutical Secondary Standard; Certified Reference Material; 4-[4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl]-1-(4-fluorophenyl) -1-butanone; Haloperidol for peak identification, European Pharmacopoeia (EP) Reference Standard; Haloperidol for system suitability, European Pharmacopoeia (EP) Reference Standard; Haloperidol solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material; InChI=1/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2",
"trade_name": "Haldol",
"abbrev_name": "",
"description": "D2R antagonist; first-generation (typical) antipsychotic",
"molecular_formula": "C21H23ClFNO2",
"molecular_weight": "375.9",
"state": "solid",
"clearance": "Haloperidol clearance after extravascular administration ranges from 0.9-1.5 l/h/kg, however this rate is reduced in poor metabolizers of C_YP2D6_ enzyme. Reduced CYP2D6 enzyme activity may result in increased concentrations of haloperidol. The inter-subject variability (coefficient of variation, %) in haloperidol clearance was estimated to be 44% in a population pharmacokinetic analysis in patients with schizophrenia [L2028].",
"volume_of_distribution": "The apparent volume of distribution is about 20 L/kg, in concordance with the high lipophilicity of the drug [L1996], and largely depends on the subject [L2028].\n\nHaloperidol is rapidly distributed to various tissues and organs, as indicated by the large volume of distribution (mean values 8 to 21 L/kg after intravenous dosing). Haloperidol readily crosses the blood-brain barrier. It also crosses the placenta and is excreted in breast milk [L2028].",
"route_of_elimination": "Urine 40% (1% unchanged), feces 15% [L1997]",
"protein_binding": "Haloperidol circulates in the blood bound predominantly (90-94%) to plasma proteins [L1996].",
"half_life": "\nFor the non-decanoate formulations, the haloperidol half-life is on average 24 hours after oral administration and 21 hours after intramuscular administration [L2028].",
"absorption": "\nHaloperidol is well-absorbed from the gastrointestinal tract when ingested orally, however, the first-pass hepatic metabolism decreases its oral bioavailability to 40 - 75% [L1996]. \n\nAdministration of haloperidol decanoate (the depot form of haloperidol for long-term treatment) in sesame oil results in slow release of the drug for long-term effects. The plasma concentrations of haloperidol gradually rise, reaching its peak concentration at about 6 days after the injection, with an apparent half-life of about 21 days. Steady-state plasma concentrations are achieved after the third or fourth dose [FDA label].\n\nSerum concentration peaks 0.5 to 4 hours after an oral dose [L1996].",
"cid": "3559",
"classification": "N",
"indications": "Abnormal behaviour; Affect lability; Conduct disorder; Disturbance in social behaviour; Frustration; Hyperkinesia; Mood swings; Psychotic disorder; Schizoaffective disorder; Schizophrenia; Tourette's disorder",
"side_effects": "",
"atc_codes": "N05AD01",
"group": "Drug",
"drug_type": "",
"target": [
"T001"
],
"function": [
"F0105",
"F020103",
"F0401"
],
"references": [
"RC00898",
"RC01055",
"RC01076",
"RC01093",
"RC01395",
"RC03442",
"RC03591",
"RC03620"
]
},
{
"compound_ID": "D0065",
"name": "Ibuprofen",
"synonyms": "ibuprofen; 15687-27-1; 2-(4-Isobutylphenyl)propanoic acid; Brufen; Motrin; Advil; Nurofen; Dolgit; Liptan; Nuprin; Anflagen; Buburone; Butylenin; Ibumetin; Ibuprocin; Medipren; Ebufac; Lamidon; Mynosedin; Apsifen; Epobron; Haltran; Roidenin; Trendar; Adran; Andran; Bluton; Nobfen; Nobgen; PediaProfen; Rufen; Nobfelon; Brufort; Inabrin; Pantrop; Rebugen; Suspren; Tabalon; (RS)-Ibuprofen; Anco; Urem; 2-[4-(2-methylpropyl)phenyl]propanoic acid; Ibu-slo; Brufanic; Ibuprohm; Napacetin; Ibufen; Ibren; 4-Isobutylhydratropic acid; p-Isobutylhydratropic acid; Novoprofen; Proartinal; Amersol; Dibufen; Dolocyl; Ibuprin; Lidifen; Optifen; Ostofen; Panafen; Paxofen; Proflex; Quadrax; Uprofen; Burana; Carol; Dolgin; Midol; Profen; Rafen; Cobo; Ifen; (+-)-Ibuprofen; Cap-Profen; Tab-Profen; Artril 300; Ibu-Tab; Midol 200; duralbuprofen; Butacortelone; Amibufen; Antalfene; Antarene; Antiflam; Balkaprofen; Betaprofen; Bukrefen; Buracaps; Citalgan; Combiflam; Daiprophen; Dentigoa; Dignoflex; Dolgirid; Dolmaral; Dolofort; Dolormin; Doltibil; Dysdolen; Esprenit; Exneural; Femapirin; Fibraflex; Gelufene; Ibucasen; Ibudolor; Ibuflamar; Ibugesic; Ibuhexal; Ibulagic; Ibumerck; Ibupirac; Ibuprofeno; Jenaprofen; Kratalgin; Lebrufen; Librofem; Malafene; Manypren; Mensoton; Neobrufen; Novogent; Nuprilan; Oralfene; Relcofen; Rhinadvil; Seclodin; Sednafen; Seklodin; Seskafen; Solpaflex; Suprafen; Syntofene; Alaxan; Algofen; Amelior; Anafen; Antagil; Artofen; Artril; Brofen; Bruflam; Bufeno; Bufigen; Bupron; Dansida; Dolibu; Dolofen; Dolofin; Dologel; Dolomax; Doloren; Dolven; Dorival; Duafen; Duobrus; Easifon; Emflam; Eputex; Faspic; Femadon; Femafen; Femidol; Fenbid; Fendol; Fenspan; Grefen; Gynofug; Ibubest; Ibubeta; Ibudol; Ibufug; Ibugel; Ibugen; Ibular; Ibulav; Ibuleve; Ibulgan; Ibumed; Ibusal; Ibutid; Inflam; Inoven; Isodol; Junifen; Lopane; Melfen; Moment; Narfen; Nerofen; Noalgil; Nobafon; Noritis; Novadol; Opturem; Ostarin; Ozonol; Paduden; Perofen; Provon; Ranofen; Sadefen; Salivia; Siyafen; Solufen; Stelar; Sugafen; Tatanal; Tempil; Unipron; Bloom; Cesra; Cunil; Dalsy; Ergix; Gofen; Ipren; Irfen; Kesan; Rofen; Rufin; Rupan; Tofen; Tonal; Upfen; Zafen; Zofen; alpha-(4-Isobutylphenyl)propionic acid; Drin; Ibol; Pediatric Advil; Apo-Ibuprofen; Brufen Retard; 4-Isobutyl-alpha-methylphenylacetic acid; Ibu-Attritin; Neo-Helvagit; (+/-)-Ibuprofen; Deep Relief; Dolo-Dolgit; Ibu-slow; Novo-Profen; Neo-Mindol; Dolofen-F; Donjust B; Nagifen-D; Children's Advil; Dura-Ibu; Motrin IB; Togal N; Children's Motrin; Ibu-Tab 200; Children's Ibuprofen; Dularbuprofen; Caldolor; Tabalon 400; (+-)-p-Isobutylhydratropic acid; Brufen 400; Emflam-200; Junior Strength Advil; Kontagripp Mono; DOLO PUREN; IP-82; Junior Strength Motrin; Novo Dioxadol; Schmerz-Dolgit; Act-3; Ak+C2278tren; ACHES-N-PAIN; Hemagene Tailleur; Hydratropic acid, p-isobutyl-; (4-Isobutylphenyl)-alpha-methylacetic acid; Adex 200; Junior Strength Ibuprofen; Advil, Children's; Am-Fam 400; Codral Period Pain; p-Isobutyl-2-phenylpropionic acid; (+-)-Ibuprophen; (+-)-2-(p-Isobutylphenyl)propionic acid; 2-(4-ISOBUTYLPHENYL)PROPIONIC ACID; alpha-(p-isobutylphenyl)propionic acid; Midol IB Cramp Relief; 58560-75-1; VUFB 9649; Bayer Select Pain Relief; Ibuprofene [INN-French]; Ibuprofenum [INN-Latin]; RD 13621; Racemic ibuprofen; Ibuprofeno [INN-Spanish]; U-18,573; alpha-p-Isobutylphenylpropionic acid; MOTRIN MIGRAINE PAIN; IB-100; Motrin IB Gelcaps; UCB 79171; (+-)-alpha-Methyl-4-(2-methylpropyl)benzeneacetic acid; 2-(4-Isobutyl-phenyl)-propionic acid; CCRIS 3223; CHEBI:5855; alpha-Methyl-4-(2-methylpropyl)benzeneacetic acid; CHILDREN'S ADVIL-FLAVORED; Benzeneacetic acid, alpha-methyl-4-(2-methylpropyl)-; HSDB 3099; Children's Elixsure IB; Benzeneacetic acid, .alpha.-methyl-4-(2-methylpropyl)-; 2-(p-Isobutylphenyl)propionic acid; EINECS 239-784-6; CHEMBL521; U 18573; NSC 256857; BRN 2049713; MLS000069733; (+/-)-2-(4-Isobutylphenyl)Propanoic Acid; Ibu; (S)-4-Isobutyl-alpha-methylphenylacetic acid; R.D. 13621; HEFNNWSXXWATRW-UHFFFAOYSA-N; (+/-)-p-Isobutylhydratropic acid; Acide (isobutyl-4-phenyl)-2 propionique [French]; C13H18O2; U-18573; Ibuprofen, 99%; MFCD00010393; NSC256857; .alpha.-(p-isobutylphenyl)propionic acid; NCGC00015529-09; Ibuprofenum; .alpha.-(4-Isobutylphenyl)propionic acid; Acide (isobutyl-4 phenyl)-2 propionique; Ibuprofene; Ibuprophen; Salprofen; SMR000058184; 4-Isobutyl-.alpha.-methylphenylacetic acid; alpha-Methyl-4-(isobutyl)phenylacetic acid; DSSTox_CID_732; Advil Liqui-Gels; DSSTox_RID_75759; DSSTox_GSID_20732; Children's Elixsure; .alpha.-Methyl-4-(2-methylpropyl)benzeneacetic acid; Alivium; Benzeneacetic acid, alpha-methyl-4-(2-methylpropyl), (+-)-; Genpril; Pedea; Advil migraine; Ibuprofen-Zinc; Perrigo ibuprofen; Trauma-Dolgit Gel; CAS-15687-27-1; Motrin (TN); Advil (TN); SR-01000000214; Advil Migraine Liqui-Gels; Ibupril; Ibuprox; Aktren; Ibux; CDT-ibuprofen; Nurofen Meltlets; Ibuprofen(Advil); (y)-Ibuprofen; Ibuprofen,(S); Midol Liquid Gels; (+) ibuprofen; Ibuprofen (Advil); (?)-Ibuprofen; Ibuprofen (Dolgesic); p-Isobutylhydratropate; Ibuprofen [USAN:USP:INN:BAN:JAN]; Combunox (Salt/Mix); (A+/-)-Ibuprofen; PubChem16054; Spectrum_000849; Acide (isobutyl-4-phenyl)-2 propionique; Opera_ID_554; Ibuprofen I.V. Solution; Spectrum2_000129; Spectrum3_000465; Spectrum4_000015; Spectrum5_000862; WLN: QVY&R DIY; CBMicro_005634; ACMC-209df0; ACMC-209ks2; Epitope ID:139973; p-isobutyl-hydratropic acid; [(+/-)-2-(4-Isobutylphenyl)-propionic Acid; EC 239-784-6; I 4883; Cambridge id 5152402; SCHEMBL3001; Isobutylpropanoicphenolic acid; Lopac0_000691; BSPBio_002170; Ibuprofen - Adooq Bioscience; KBioGR_000389; KBioSS_001329; KSC492A1B; MLS001146965; p-Isobutyl-2-phenylpropionate; ARONIS23835; BIDD:GT0050; DivK1c_000887; SPECTRUM1500347; Ibuprofen, >=98% (GC); SPBio_000178; Ibuprofen (JP17/USP/INN); alpha-p-Isobutylphenylpropionate; GTPL2713; Motrin IB Gelcaps (Salt/Mix); 2-p-isobutylphenylpropionic acid; DTXSID5020732; CTK3J2010; HEFNNWSXXWATRW-UHFFFAOYSA-; HMS502M09; KBio1_000887; KBio2_001329; KBio2_003897; KBio2_006465; KBio3_001390; Advil Cold & Sinus (Salt/Mix); Ibuprofen [USAN:BAN:INN:JAN]; Ibuprofen 1.0 mg/ml in Methanol; NINDS_000887; Sine-Aid IB Caplets (Salt/Mix); 2-(4-Isobutylphenyl)propanoicAcid; alpha-(4-Isobutylphenyl)propionate; HMS1920F15; HMS2089P05; HMS2091N03; HMS2230N04; HMS3259G05; HMS3262K03; HMS3372M09; HMS3649M11; HMS3651A15; Pharmakon1600-01500347; ACT03248; ALBB-025647; BCP10423; BCP20325; BCP25225; KS-00000CJ0; KS-000047NV; ZAG-1701; ( inverted question mark)-Ibuprofen; (.+-.)-p-Isobutylhydratropic acid; Children's Elixsure IB (Salt/Mix); Tox21_110170; Tox21_201384; Tox21_302829; Tox21_500691; 2-(4'-isobutylphenyl)propionic acid; 2-(4-isobutylphenyl) propanoic acid; 2-(4-isobutylphenyl) propionic acid; 2-(4-isobutylphenyl)-propionic acid; ANW-21658; BBL010660; BDBM50009859; CCG-38947; NSC757073; s1638; SBB064160; STK177358; (.+/-.)-p-Isobutylhydratropic acid; 2-(4-isobutylphenyl)-propionoic acid; Ibuprofen 100 microg/mL in Methanol; 2-(4'-isobutylphenyl)-propionic acid; AKOS003237488; AKOS016340658; Propanoic acid, 2-(4-isobutylphenyl); Tox21_110170_1; CS-1931; DB01050; KS-5029; LP00691; LS-7454; MCULE-9475454445; NC00458; NSC-256857; NSC-757073; RTR-006580; SB19113; ST-1482; TRA0047278; ( inverted exclamation markA)-Ibuprofen; alpha-(4-isobutylphenyl)-propionic acid; alpha-(p-isobutylphenyl)-propionic acid; IDI1_000887; NCGC00015529-04; NCGC00015529-05; NCGC00015529-06; NCGC00015529-07; NCGC00015529-08; NCGC00015529-10; NCGC00015529-12; NCGC00015529-13; NCGC00015529-14; NCGC00015529-15; NCGC00015529-18; NCGC00089819-02; NCGC00089819-03; NCGC00089819-04; NCGC00089819-05; NCGC00089819-06; NCGC00089819-07; NCGC00256416-01; NCGC00258935-01; NCGC00261376-01; AC-11312; AK-47272; AK-73124; AK307336; BR-47272; CPD000058184; HY-78131; NCI60_002065; SAM002264619; SC-18867; ST024750; Ibuprofen, Vetec(TM) reagent grade, 97%; SBI-0050669.P004; (+/-)-2-(p-isobutylphenyl)propionic acid; .alpha.-2-(p-Isobutylphenyl)propionic acid; AB1009266; DB-043333; DB-071312; Ibuprofen, meets USP testing specifications; TR-006580; (.+-.)-2-(p-Isobutylphenyl)propionic acid; 4-Isobutylphenyl)-.alpha.-methylacetic acid; AM20060782; BB 0258487; EU-0100691; FT-0601629; FT-0655194; I0415; ST24032335; SW203738-2; (.+/-.)-2-(p-Isobutylphenyl)propionic acid; Ibuprofen, VETRANAL(TM), analytical standard; (r/s)-alpha-methyl-4-isobutylphenylacetic acid; C01588; D00126; J10135; M-4957; AB00052020-16; AB00052020-17; AB00052020_18; AB00052020_19; (RS)-2-(4-(2-Methylpropyl)phenyl)propanoic acid; 687I271; A831926; Q186969; J-009349; SR-01000000214-2; SR-01000000214-4; BRD-A17655518-001-02-0; BRD-A17655518-001-12-9; SR-01000000214-13; Ibuprofen, British Pharmacopoeia (BP) Reference Standard; Z1695709473; (+/-)-alpha-methyl-4-(2-methylpropyl)benzeneacetic acid; Ibuprofen, European Pharmacopoeia (EP) Reference Standard; Benzeneacetic acid, alpha-methyl-4-(2-methylpropyl), (+/-)-; Ibuprofen, United States Pharmacopeia (USP) Reference Standard; Benzeneacetic acid, .alpha.-methyl-4-(2-methylpropyl), (.+/-.)-; Ibuprofen, Pharmaceutical Secondary Standard; Certified Reference Material; Ibuprofen for peak identification, European Pharmacopoeia (EP) Reference Standard; N4,N4' -Di(naphthalen-1-yl)-N4,N4' -bis(4-vinylphenyl)biphenyl-4,4'-diamine; (2s)-2-[4-(2-methylpropyl)phenyl]propionic acid DEXIBUPROFEN (S)-(+)-2-(4-ISOBUTYLPHENYL)PROPIONIC ACID (S)-(+)-4-ISOBUTYL-ALPHA-ME; 2-(4-Isobutylphenyl)-propionic acid ; alpha-Methyl-4-(2-methylpropyl)benzeneacetic acid ; p-Isobutylhydratropic acid; InChI=1/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)",
"trade_name": "Advil, Motrin, Nurofen",
"abbrev_name": "",
"description": "nonsteroidal anti-inflammatory drug (NSAID); derived from propionic acid; inhibiting the production of prostaglandins by decreasing the activity of the enzyme cyclooxygenase",
"molecular_formula": "C13H18O2",
"molecular_weight": "206.28",
"state": "solid",
"clearance": "The clearance rate ranges between 3-13 L/h depending on the route of administration, enantiomer type and dosage.[A39190]",
"volume_of_distribution": "The apparent volume of distribution of ibuprofen is of 0.1 L/kg.[A39195]",
"route_of_elimination": "Ibuprofen is rapidly metabolized and eliminated in the urine thus, this via accounts for more than 90% of the administered dose. It is completely eliminated in 24 hours after the last dose and almost all the administered dose goes through metabolism, representing about 99% of the eliminated dose.[A39092] The biliary excretion of unchanged drug and active phase II metabolites represents 1% of the administered dose.[A39190]\n\nIn summary, ibuprofen is excreted as metabolites or their conjugates. The elimination of ibuprofen is not impaired by old age or the presence of renal impairment.[A39092]",
"protein_binding": "Ibuprofen dosage is more than 99% bound to plasma proteins and site II of purified albumin, binding appears to be saturable and becomes non-linear at concentrations exceeding 20 mcg/ml.[A39092]",
"half_life": "The serum half-life of ibuprofen is 1.2-2 hours.[A39092] In patients with a compromised liver function, the half-life can be prolonged to 3.1-3.4 hours.[A39190]",
"absorption": "It is very well absorbed orally and the peak serum concentration can be attained in 1 to 2 hours after extravascular administration. When ibuprofen is administered immediately after a meal there is a slight reduction in the absorption rate but there is no change in the extent of the absorption.[A39092] \n\nWhen orally administered, the absorption of ibuprofen in adults is very rapidly done in the upper GI tract.[A39190] The average Cmax, Tmax and AUC ranges around 20 mcg/ml, 2 h and 70 mcg.h/ml. These parameters can vary depending on the enantiomer form, route, and dose of administration.[A39190]",
"cid": "3672",
"classification": "G; M; R; C; N",
"indications": "Analgesic therapy; Ankylosing spondylitis; Arthropathy; Autoimmune disorder; Blood pressure increased; Body temperature increased; Bursitis; Connective tissue disorder; Discomfort; Ear pain; Haemoglobin; Haemorrhage; Headache; Inflammation; Influenza; Ligament sprain; Migraine; Muscle spasms; Musculoskeletal discomfort; Myalgia; Nasopharyngitis; Nausea; Neuralgia; Oropharyngeal discomfort; Oropharyngeal pain; Otitis media; Patent ductus arteriosus; Procedural pain; Renal failure; Renal impairment; Rheumatoid arthritis; Rhinitis; Soft tissue injury; Systemic lupus erythematosus; Tendonitis; Tenosynovitis; Tension headache; Toothache; Ulcer; Uterine pain",
"side_effects": "Constipation (0.22); Somnolence (0.22); Abdominal discomfort; Adrenal insufficiency; Anaemia; Apnoea; Atelectasis; Bacteraemia; Blood creatinine increased; Blood lactate dehydrogenase increased; Blood urea increased; Cough; Diarrhoea; Dizziness; Dyspepsia; Eosinophilia; Flatulence; Gastrointestinal disorder; Haematuria; Haemoglobin; Haemoglobin decreased; Haemorrhage; Headache; Hypernatraemia; Hypertension; Hypoalbuminaemia; Hypocalcaemia; Hypoglycaemia; Hypokalaemia; Hypoproteinaemia; Hypotension; Intraventricular haemorrhage; Nausea; Neutropenia; Oedema; Oedema peripheral; Pneumonia bacterial; Pneumothorax; Renal failure; Renal impairment; Respiratory failure; Respiratory tract infection; Skin lesion; Thrombocytosis; Urinary retention; Urinary tract infection; Urine output; Vomiting; Wound haemorrhage",
"atc_codes": "M01AE51; R02AX02; M02AA13; N02AJ08; N02AJ19; C01EB16; M01AE01; G02CC01",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T002",
"T408"
],
"function": [
"F010502",
"F0108",
"F0201",
"F02060101",
"F0303"
],
"references": [
"RC03540",
"RC03546",
"RC03553",
"RC03801",
"RC04073",
"RC04197",
"RC04321",
"RC04445",
"RC04569"
]
},
{
"compound_ID": "D0066",
"name": "Ibutilide",
"synonyms": "Ibutilide; 122647-31-8; Ibutilida; Ibutilidum; Ibutilidum [INN-Latin]; Ibutilida [INN-Spanish]; Ibutilide [INN:BAN]; n-(4-{4-[ethyl(heptyl)amino]-1-hydroxybutyl}phenyl)methanesulfonamide; CHEMBL533; CHEBI:5856; C20H36N2O3S; ALOBUEHUHMBRLE-UHFFFAOYSA-N; N-(4-(4-(ethyl(heptyl)amino)-1-hydroxybutyl)phenyl)methanesulfonamide; ibutilide, (+-)-isomer; Ibutilide (INN); N-[4-[4-(ethylheptylamino)-1-hydroxybutyl]phenyl]methanesulfonamide; Ibutilide [BAN:INN]; Ibutilid; GTPL7200; SCHEMBL3719856; DTXSID20861271; HMS3741K11; 136591-58-7; BDBM50131432; Methanesulfonamide, N-[4-[4-(ethylheptylamino)-1-hydroxybutyl]phenyl]-; API0006228; DB00308; MCULE-5393489002; CC-29459; LS-90123; FT-0631106; C07753; D08060; AB01568246_01; 647I318; C-21412; Q3791612; N-{4-[4-(Ethyl-heptyl-amino)-1-hydroxy-butyl]-phenyl}-methanesulfonamide",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C20H36N2O3S",
"molecular_weight": "384.6",
"state": "solid",
"clearance": "* 29 mL/min/kg",
"volume_of_distribution": "* 11 L/kg",
"route_of_elimination": "In healthy male volunteers, about 82% of a 0.01 mg/kg dose of [14C] ibutilide fumarate was excreted in the urine (about 7% of the dose as unchanged ibutilide) and the remainder (about 19%) was recovered in the feces.",
"protein_binding": "0.4",
"half_life": "6 hours (ranges from 2-12 hours)",
"absorption": "Rapid after intravenous injection",
"cid": "60753",
"classification": "C",
"indications": "Arrhythmia; Arrhythmia supraventricular; Atrial fibrillation; Atrial flutter; Sinus rhythm",
"side_effects": "Bundle branch block (0.019); Ventricular arrhythmia (0.002); Atrioventricular block; Bradycardia; Headache; Hypotension; Nausea; Palpitations; Tachycardia; Ventricular extrasystoles; Ventricular tachycardia",
"atc_codes": "C01BD05",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0067",
"name": "Idarubicin",
"synonyms": "IDARUBICIN; 58957-92-9; 4-Demethoxydaunorubicin; Idarubicina; 4-Demethoxydaunomycin; Idarubicin Hcl; Idarubicinum; Idarubicine; Idamycin; Idarubicine [INN-French]; Idarubicinum [INN-Latin]; Idarubicina [INN-Spanish]; Idarubicin [INN:BAN]; IMI 30; Daunomycin, 4-demethoxy-; UNII-ZRP63D75JW; IMI-30; NSC-256439; CCRIS 5083; NSC 256439; ZRP63D75JW; CHEBI:42068; (1S,3S)-3-acetyl-3,5,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside; 5,12-Naphthacenedione, 9-acetyl-7-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,9,11-trihydroxy-, (7S-cis)-; DM5; 4-Desmethoxydaunorubicin; MLS001401448; (7S,9S)-9-acetyl-7-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-6,9,11-trihydroxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione; 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-9-acetyl-7-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-6,9,11-trihydroxy-, (7S-cis)-; Idarubicin (INN); C26H27NO9; Zavedos (TN); NCGC00093976-03; SMR000466355; 4-DMD; SR-01000075934; I 1656; SCHEMBL3750; CHEMBL1117; Lopac0_000600; KBioSS_002388; Idarubicin hydrochloride, solid; cid_636362; GTPL7083; 4-DEMETHOXY-DAUNORUBICIN; DTXSID7023142; IDARUBICIN(Hydrochloride form); BDBM58490; XDXDZDZNSLXDNA-TZNDIEGXSA-N; BCPP000207; HMS2089D05; HMS3261H22; ZINC3920266; Tox21_500600; AKOS015895563; AC-9384; API0002970; BCP9000773; CCG-204689; DB01177; LP00600; NCGC00093976-01; NCGC00093976-02; NCGC00093976-04; NCGC00093976-05; NCGC00261285-01; (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione; CC-29462; LS-94015; SC-17016; EU-0100600; FT-0621481; D08062; Z-3092; 15158-EP2270008A1; 15158-EP2272827A1; 15158-EP2275420A1; 15158-EP2277879A1; 15158-EP2280012A2; 15158-EP2281815A1; 15158-EP2289892A1; 15158-EP2292615A1; 15158-EP2292617A1; 15158-EP2295055A2; 15158-EP2295416A2; 15158-EP2295426A1; 15158-EP2295427A1; 15158-EP2298748A2; 15158-EP2298764A1; 15158-EP2298765A1; 15158-EP2301928A1; 15158-EP2301933A1; 15158-EP2305640A2; 15158-EP2305642A2; 15158-EP2305671A1; 15158-EP2308833A2; 15158-EP2308855A1; 15158-EP2311453A1; 15158-EP2311808A1; 15158-EP2311825A1; 15158-EP2311827A1; 15158-EP2311829A1; 15158-EP2311842A2; 15158-EP2316832A1; 15158-EP2316833A1; AB00698511-06; AB00698511-08; AB00698511-09; AB00698511-10; AB00698511_11; 957I929; A832088; C-22925; Q1063862; SR-01000075934-1; BRD-K69650333-001-01-1; BRD-K69650333-001-02-9; BRD-K69650333-003-14-0; Idarubicin, United States Pharmacopeia (USP) Reference Standard; (1S,3S)-3-acetyl-3,5,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydronaphthacen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside; (7S,9S)-7-[(2R,4S,5S,6S)-4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl]oxy-9-ethanoyl-6,9,11-tris(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione; (7S,9S)-7-[(2R,4S,5S,6S)-4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl]oxy-9-ethanoyl-6,9,11-tris(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride; (7S,9S)-9-acetyl-7-((2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yloxy)-6,9,11-trihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione; (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-quinone;hydrochloride; (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride; (7S,9S)-9-acetyl-7-[[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-2-oxanyl]oxy]-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione; (7S,9S)-9-acetyl-7-[[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-2-oxanyl]oxy]-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride; 4-Demethoxydaunorubicin|||IMI-30|||NSC-256439|||(7S,9S)-9-Acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione; 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-9-acetyl-7-((3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy)-6,9,11-trihydroxy-, (7S-cis)-",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C26H27NO9",
"molecular_weight": "497.5",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "The drug is eliminated predominately by biliary and to a lesser extent by renal excretion, mostly in the form of idarubicinol.",
"protein_binding": "0.97",
"half_life": "22 hours",
"absorption": "",
"cid": "42890",
"classification": "L",
"indications": "Acute coronary syndrome; Acute lymphocytic leukaemia; Acute myeloid leukaemia; Arrhythmia; Cardiac disorder; Cardiac failure congestive; Chest pain; Chronic myeloid leukaemia; Gastrointestinal disorder; Myocardial infarction; Non-Hodgkin's lymphoma",
"side_effects": "Abdominal pain; Alopecia; Body temperature increased; Convulsion; Diarrhoea; Haemoglobin; Haemorrhage; Headache; Hypersensitivity; Infection; Mucosal inflammation; Nausea; Vomiting",
"atc_codes": "L01DB06",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F020403"
],
"references": [
"RC04885"
]
},
{
"compound_ID": "D0068",
"name": "Imipenem",
"synonyms": "imipenem; Imipemide; N-Formimidoylthienamycin; Tienamycin; 64221-86-9; Imipenem anhydrous; Imipenemum; N-formimidoyl thienamycin; imipen; MK 0787; CHEBI:471744; Imipenem, N-Formimidoyl thienamycin; (5R,6S)-6-((R)-1-Hydroxyethyl)-3-(2-(iminomethylamino)ethylthio)-7-oxo-1-azabicyclo(3.2.0)hept-2-ene-2-carbonsaeure; UNII-Q20IM7HE75; Imipenem (INN); Primaxin; 74431-23-5; CHEMBL148; Q20IM7HE75; (5R,6S)-3-((2-(Formimidoylamino)ethyl)thio)-6-((R)-1-hydroxyethyl)-7-oxo-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid; MK-0787; Imipenem [INN]; Imipenemum [Latin]; (5R,6S)-3-(2-Formimidoylamino-ethylsulfanyl)-6-((R)-1-hydroxy-ethyl)-7-oxo-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylic acid; Imipenen; DSSTox_CID_3143; DSSTox_RID_76888; DSSTox_GSID_23143; EINECS 264-734-5; MK-787; Thienamycin p-nitrobenzylester hydrochloride (N-methylpyrrolidinonesolvate); 1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 6-[(1R)-1-hydroxyethyl]-3-[[2-[(iminomethyl)amino]ethyl]thio]-7-oxo-, (5R,6S)-; CAS-64221-86-9; SR-05000000294; NCGC00016928-01; (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-(2-methanimidamidoethylsulfanyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid; 1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 6-((1R)-1-hydroxyethyl)-3-((2-((iminomethyl)amino)ethyl)thio)-7-oxo-, (5R,6S)-; Prestwick_844; Prestwick0_000519; Prestwick1_000519; Prestwick2_000519; Prestwick3_000519; Epitope ID:120384; BSPBio_000477; BIDD:GT0686; SPBio_002398; BPBio1_000525; SCHEMBL1649260; SCHEMBL8781920; DTXSID2023143; ZSKVGTPCRGIANV-ZXFLCMHBSA-N; HMS1569H19; HMS2090A15; HMS2096H19; HMS3260H20; HMS3713H19; Pharmakon1600-01506001; 1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 6-(1-hydroxyethyl)-3-((2-((iminomethyl)amino)ethyl)thio)-7-oxo-, (5R-(5-alpha,6-alpha(R*)))-; BCP13012; ZINC4097225; Tox21_110689; Tox21_500279; BDBM50049708; BDBM50213266; NSC717864; NSC759901; AKOS016010844; Tox21_110689_1; CCG-220519; CCG-221583; DB01598; LP00279; NSC-717864; NSC-759901; NCGC00167958-01; NCGC00167958-02; NCGC00167958-03; NCGC00167958-05; NCGC00260964-01; (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-({2-[(iminomethyl)amino]ethyl}thio)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid; AS-75130; FT-0627191; C06665; D04515; X-2302; AB01563339_01; 847I667; Q425152; SR-05000000294-2; SR-05000000294-5; (5R,6S)-3-((2-formimidamidoethyl)thio)-6-((R)-1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid; (5R,6S)-3-({2-[(E)-(aminomethylidene)amino]ethyl}sulfanyl)-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid; (5R,6S)-3-(2-formimidamidoethylthio)-6-((R)-1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid; (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-({2-[(iminomethyl)amino]ethyl}sulfanyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid; (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[(2-methanimidamidoethyl)sulfanyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid; [5R-[5.alpha.,6.alpha.(R*)]]-6-(1-Hydroxyethyl)-3-[[2- [(iminomethyl)amino]ethyl]thio]-7-oxo-1-azabicyclo[3.2.0]hept-2- ene-2-carboxylic acid monohydrate; 1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid,6-[(1R)-1-hydroxyethyl]-3-[[2-[(iminomethyl)amino]ethyl]thio]-7-oxo-,(5R,6S)-; 103730-39-8; 3-[(2-Aminoethyl)thio]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrophenyl)methylester monohydrochloride compd. with 1-methyl-2-pyrrolidinone (1:1)",
"trade_name": "Primaxin",
"abbrev_name": "",
"description": "Antibacterial; intravenous beta-lactam antibiotic",
"molecular_formula": "C12H17N3O4S",
"molecular_weight": "299.35",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "20% binds to plasma proteins",
"half_life": "1 hour",
"absorption": "Imipenem is not effectively absorbed from the gastrointestinal tract and therefore must be administered parenterally.",
"cid": "104838",
"classification": "J",
"indications": "",
"side_effects": "",
"atc_codes": "J01DH51",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0201"
],
"references": [
"RC03618"
]
},
{
"compound_ID": "D0069",
"name": "Indomethacin",
"synonyms": "indomethacin; 53-86-1; indometacin; Indocin; Indometacine; Indomethacine; Indocid; Metindol; Indomethazine; Imbrilon; Amuno; Tannex; Indomethacinum; Artracin; Artrinovo; Artrivia; Confortid; Idomethine; Indomecol; Indoptic; Indoptol; Inflazon; Infrocin; Metartril; Methazine; Mikametan; Reumacide; Sadoreum; Dolovin; Inacid; Indacin; Indomed; Indomee; Lausit; Metacen; Mobilan; Indo-rectolmin; Indo-tablinen; Inteban sp; Indometacyna; Indometicina; Mezolin; Indo-Lemmon; Indocin Sr; Indometacina; Indometacinum; Dolcidium; Durametacin; Elmetacin; Indomethine; Indorektal; Catlep; Indoxen; Vonum; Indo-phlogont; Chibro-amuno; Indomet 140; Rheumacin LA; 1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-; Osmosin; Indometacyna [Polish]; 2-(1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid; Indometicina [Spanish]; Indometacine [INN-French]; Indometacinum [INN-Latin]; Indometacina [INN-Spanish]; 1-(p-Chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid; CCRIS 3502; HSDB 3101; 1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-3-indoleacetic acid; NCI-C56144; UNII-XXE1CET956; 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid; CHEMBL6; CGIGDMFJXJATDK-UHFFFAOYSA-N; 1-(p-Chlorobenzoyl)-2-methyl-5-methoxyindole-3-acetic acid; EINECS 200-186-5; MFCD00057095; IMN; Indole-3-acetic acid, 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-; BRN 0497341; XXE1CET956; N-p-Chlorbenzoyl-5-methoxy-2-methylindole-3-acetic acid; MLS000069402; Indomethacin (Indocid, Indocin); (1-p-Chlorobenzoyl-5-methoxy-2-methylindol-3-yl)acetic acid; CHEBI:49662; 1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid; 1-(p-Chlorobenzoyl)-2-methoxy-3-methyl-1H-indole-3-acetic Acid; [1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid; alpha-(1-(p-Chlorobenzoyl)-2-methyl-5-methoxy-3-indolyl)acetic acid; 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid; CAS-53-86-1; 1-p-Cloro-benzoil-5-metoxi-2-metilindol-3-acido acetico; NCGC00015562-18; Indmethacine; Indomethancin; Indomethegan; 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-3-indolylacetic acid; Arthrexin; Bonidin; Bonidon; Indameth; Indomod; Miametan; SMR000058195; Indomo; Flexin continus; Hicin; Kwas 1-(p-chlorobenzoilo)-2-metylo-5-metoksy-3-indolilooctowy; Chrono-indicid; Chrono-indocid; 1-(p-Chlorbenzoyl)-5-methoxy-2-methylindol-3-essigsaeure [German]; 1-p-Cloro-benzoil-5-metoxi-2-metilindol-3-acido acetico [Spanish]; DSSTox_CID_740; Bonidon Gel; Dolcidium PL; Indo-Spray; Kwas 1-(p-chlorobenzoilo)-2-metylo-5-metoksy-3-indolilooctowy [Polish]; Indolar SR; {1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl-1H-indol-3-yl}acetic acid; DSSTox_RID_75763; DSSTox_GSID_20740; 1-(4-chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid; Tivorbex; Aconip; 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetic acid; 2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methylindol-3-yl}acetic acid; Indocin-SR; Indomethacin [USAN:BAN]; Indochron E-R; 2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl-1h-indol-3-yl}acetic acid; Indocin (TN); Aconip (TN); Indomethacin (USP); FLAM; Indocid (pharmaceutical); SR-01000000014; Indomethacin & MAP-30; Indomethacin [USAN:USP]; Indocollyre; Indonol; Innamit; Inteban; 2-{1-((4-chlorophenyl)carbonyl)-5-methoxy-2-methylindol-3-yl}acetic acid; 4kyk; Indomethacin,(S); Prestwick_597; Indometacin [INN]; Indomethacin(Indocid); 87377-08-0; Opera_ID_56; PubChem17620; Spectrum_000919; Tocris-1708; 1z9h; 74252-25-8; Prestwick0_000272; Prestwick1_000272; Prestwick2_000272; Prestwick3_000272; Spectrum2_000970; Spectrum3_000468; Spectrum4_000018; Spectrum5_000868; Lopac-I-7378; MolMap_000032; UPCMLD-DP023; EC 200-186-5; I 7378; Indometacin (JP17/INN); SCHEMBL9300; Lopac0_000692; Oprea1_686105; BSPBio_000144; BSPBio_001149; BSPBio_002176; KBioGR_000395; KBioGR_000489; KBioSS_000489; KBioSS_001399; 5-22-05-00239 (Beilstein Handbook Reference); KSC492C9L; MLS001074194; MLS006011845; ARONIS27005; BIDD:GT0132; DivK1c_000271; SPECTRUM1500350; SPBio_000979; SPBio_002363; BPBio1_000160; GTPL1909; DTXSID9020740; Indomethacin, >=99% (TLC); UPCMLD-DP023:001; BDBM17638; CGIGDMFJXJATDK-UHFFFAOYSA-; CTK3J2195; HMS500N13; KBio1_000271; KBio2_000489; KBio2_001399; KBio2_003057; KBio2_003967; KBio2_005625; KBio2_006535; KBio3_000897; KBio3_000898; KBio3_001396; KS-00000WRK; 1-(p-Chlorbenzoyl)-5-methoxy-2-methylindol-3-essigsaeure; NINDS_000271; Bio2_000405; Bio2_000885; HMS1362I11; HMS1568H06; HMS1792I11; HMS1920F21; HMS1990I11; HMS2089N19; HMS2091N09; HMS2095H06; HMS2231J10; HMS3262K05; HMS3268A14; HMS3374F07; HMS3403I11; HMS3414N13; HMS3430L03; HMS3649K17; HMS3655O04; HMS3678N11; HMS3712H06; HMS3747K21; Pharmakon1600-01500350; ZINC601283; ACT02579; BCP18951; Indomethacin, >=99.0% (TLC); Tox21_113109; Tox21_201791; Tox21_300266; Tox21_500692; AC-532; ANW-42683; CCG-40186; LS-187; NSC757061; s1723; SBB057417; STL257874; AKOS000592893; Tox21_113109_1; CS-2242; DB00328; Indometacin 1.0 mg/ml in Acetonitrile; KS-5255; LP00692; MCULE-5636486088; NE11089; NSC-757061; RTR-019032; IDI1_000271; IDI1_002160; KS-000048I8; NCGC00015562-01; NCGC00015562-02; NCGC00015562-03; NCGC00015562-04; NCGC00015562-05; NCGC00015562-06; NCGC00015562-07; NCGC00015562-08; NCGC00015562-09; NCGC00015562-10; NCGC00015562-11; NCGC00015562-12; NCGC00015562-13; NCGC00015562-14; NCGC00015562-15; NCGC00015562-16; NCGC00015562-17; NCGC00015562-19; NCGC00015562-20; NCGC00015562-21; NCGC00015562-22; NCGC00015562-24; NCGC00015562-25; NCGC00024135-02; NCGC00024135-04; NCGC00024135-05; NCGC00024135-06; NCGC00024135-07; NCGC00024135-08; NCGC00024135-09; NCGC00024135-10; NCGC00024135-11; NCGC00024135-12; NCGC00024135-13; NCGC00024135-14; NCGC00024135-15; NCGC00254075-01; NCGC00259340-01; NCGC00261377-01; BP-30207; H911; HY-14397; LS-82147; NCI60_041708; SC-17536; SBI-0050670.P004; AB1009492; DB-052413; TR-019032; AB00052022; EU-0100692; FT-0603227; I0655; ST24039048; ST50320042; SW196768-5; Indomethacin, meets USP testing specifications; BIM-0050670.0001; C01926; D00141; J10170; S00108; AB00052022-20; AB00052022-21; AB00052022_23; AB00052022_24; L000959; Q409231; Indomethacin, Antibiotic for Culture Media Use Only; Q-201239; SR-01000000014-2; SR-01000000014-4; SR-01000000014-6; BRD-K57222227-001-06-1; BRD-K57222227-001-18-6; BRD-K57222227-001-27-7; SR-01000000014-10; SR-01000000014-16; Z56784896; 1-p-chlorobenzoyl-2-methyl-5-methoxyindol-3-acetic acid; 1-(p-chlorobenzoyl)-2-methyl-5-methoxy-3-indoleacetic acid; 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-3-indoleacetic acid; 1-(p-Chlorobenzoyl)-5-methoxy-2-methylindol-3-acetic acid; 1-(4-chloro-benzoyl)-5-methoxy-2-methyl-3-indolyl-acetic acid; 1-(4-Chlorobenzoyl)-2-methyl-5-methoxyindole-3-acetic acid; 1-(p-Chlorobenzoyl)-2-methyl-5-methoxy-3-indole-acetic acid; 1-(p-chlorobenzoyl)-2-methyl-5-methoxy-3-indolylacetic acid; 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-3-indol acetic acid; Indomethacin, European Pharmacopoeia (EP) Reference Standard; N-(p-Chlorobenzoyl)-2-methyl-5-methoxy-3-indolylacetic acid; Indomethacin, United States Pharmacopeia (USP) Reference Standard; .alpha.-(1-(p-Chlorobenzoyl)-2-methyl-5-methoxy-3-indolyl)acetic acid; [1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid #; 1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid & MAP-30; 1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl- (9CI); 2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2 methylindol-3-yl}acetic acid; 2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2methylindol-3-yl}acetic acid; Indole-3-acetic acid, 1-(p-chlorobenzoyl)-5-methoxy-2-methyl- (8CI); Indomethacin, Pharmaceutical Secondary Standard; Certified Reference Material; InChI=1/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)",
"trade_name": "Indocid, Indocin",
"abbrev_name": "",
"description": "nonsteroidal anti-inflammatory drug (NSAID); anti-inflammatory, analgesic, and antipyretic; indole-acetic acid derivative; nonselective inhibition of cyclooxygenase (COX)",
"molecular_formula": "C19H16ClNO4",
"molecular_weight": "357.8",
"state": "solid",
"clearance": "In a clinical pharmacokinetic study, the plasma clearance of indometacin was reported to range from 1 to 2.5 mL/kg/min following oral administration.[A177874]",
"volume_of_distribution": "The volume of distribution ranged from 0.34 to 1.57 L/kg following oral, intravenous, or rectal administration of single and multiple doses of indometacin in healthy individuals.[A177964] Indometacin is distributed into the synovial fluid [A177874] and is extensively bound to tissues [A177949]. It has been detected in human breast milk [A177874] and placenta.[L6778] Although indometacin has been shown to cross the blood-brain barrier (BBB)[L6778], its extensive plasma protein binding allows only the small fraction of free or unbound indometacin to diffuse across the BBB.[A177949]",
"route_of_elimination": "Indometacin is eliminated via renal excretion, metabolism, and biliary excretion. It is also subject to enter the enterohepatic circulation through excretion of its glucuronide metabolites into bile followed by resorption of indometacin after hydrolysis [A177949]. The extent of involvement in the enterohepatic circulation ranges from 27 to 115%.[A177949]\n\nAbout 60 percent of an oral dosage is recovered in urine as drug and metabolites (26 percent as indomethacin and its glucuronide), and 33 percent in the feces (1.5 percent as indomethacin).[L6778]",
"protein_binding": "Indometacin is a weak organic acid that is 90-99% bound to protein in plasma over the expected range of therapeutic plasma concentrations [A177949,L6778]. Like other NSAIDs, indometacin is bound to plasma albumin [A177949] but it does not bind to red blood cells. [A177874]",
"half_life": "Indometacin disposition from the plasma is reported to be biphasic, with a half-life of 1 hour during the initial phase and 2.6–11.2 hours during the second phase.[A177949] Interindividual and intraindividual variations are possible due to the extensive and sporadic nature of the enterohepatic recycling and biliary discharge of the drug.[A177874,A177949]\n\nThe mean half-life of oral indomethacin is estimated to be about 4.5 hours.[L6778] The disposition of intravenous indometacin in preterm neonates was shown to vary across premature infants. In neonates older than 7 days, the mean plasma half-life of intravenous indometacin was approximately 20 hours, ranging from 15 hours in infants weighing more than 1000 g and 21 hours in infants weighing less than 1000 g.[F4600]",
"absorption": "Indometacin displays a linear pharmacokinetics profile where the plasma concentrations and area under the curve (AUC) are dose-proportional, whereas half-life (T1/2) and plasma and renal clearance are dose-dependent.[A177871] Indometacin is readily and rapidly absorbed from the gastrointestinal tract. The bioavailability is virtually 100% following oral administration [A177871] and about 90% of the dose is absorbed within 4 hours.[L6778] The bioavailability is about 80-90% following rectal administration.[A177901]\n\nThe peak plasma concentrations following a single oral dose were achieved between 0.9 ± 0.4 and 1.5 ± 0.8 hours in a fasting state.[A177901] Despite large intersubject variation as well using the same preparation, peak plasma concentrations are dose-proportional and averaged 1.54 ± 0.76 μg/mL, 2.65 ± 1.03 μg/mL, and 4.92 ± 1.88 μg/mL following 25 mg, 50 mg, and 75 mg single doses in fasting subjects, respectively.[A177901] With a typical therapeutic regimen of 25 or 50 mg t.i.d., the steady-state plasma concentrations of indomethacin are an average 1.4 times those following the first dose.[L6778]",
"cid": "3715",
"classification": "S; M; C",
"indications": "Ankylosing spondylitis; Arthritis; Back pain; Bursitis; Colitis ulcerative; Drug interaction; Dysmenorrhoea; Fracture; Gouty arthritis; Inflammation; Joint dislocation; Ligament sprain; Multiple fractures; Musculoskeletal disorder; Oedema; Osteoarthritis; Patent ductus arteriosus; Periarthritis; Proctocolitis; Rheumatoid arthritis; Synovitis; Tendonitis; Tenosynovitis",
"side_effects": "Abdominal pain; Constipation; Decreased appetite; Dermatitis; Diarrhoea; Dizziness; Dyspepsia; Gastrointestinal pain; Headache; Hot flush; Hyperhidrosis; Loss of consciousness; Menopausal symptoms; Nausea; Post procedural haemorrhage; Post procedural oedema; Post procedural swelling; Presyncope; Pruritus; Pruritus generalised; Rash; Shock; Somnolence; Syncope; Vomiting",
"atc_codes": "M01AB51; S01BC01; S01CC02; C01EB03; M01AB01; M02AA23",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T002",
"T181",
"T408"
],
"function": [
"F0105",
"F010502",
"F0108",
"F0201",
"F020103",
"F0303",
"F030604"
],
"references": [
"RC01058",
"RC01059",
"RC01079",
"RC01096",
"RC03611",
"RC03612",
"RC03467",
"RC03604",
"RC03807",
"RC03902",
"RC04076",
"RC04200",
"RC04324",
"RC04448",
"RC04572"
]
},
{
"compound_ID": "D0070",
"name": "Iron",
"synonyms": "Iron; 7439-89-6; Ferrum; Iron, elemental; Remko; Armco iron; Ferrovac E; Hoeganaes EH; 3ZhP; Ancor B; Atomiron 5M; PZhO; Atomiron 44MR; Atomiron AFP 5; Atomiron AFP 25; Atomel 28; Atomel 95; HQ (metal); LOHA; FT 3 (element); HF 2 (element); HL (iron); HS (iron); Atomel 500M; iron metal; PZh2M; PZh3M; PZh4M; PZh3; Hoeganaes ATW 230; Diseases, iron overload; Ferrum metallicum; F 60 (metal); PZh1M1; PZh2M1; PZh2M2; Atomel 300M200; PZh-2; PZh-1M3; Iron (Fe); SUY-B 2; Fe; DSP 128B; DSP 135C; GS 6; Copy Powder CS 105-175; Iron powder; ATW 230; ATW 432; Diseases (animal), iron overload; DSP 135; DSP 138; EFV 250; Ancor en 80/150; DSP 1000; EO 5A; UNII-E1UOL152H7; EF 250; NC 100; EF 1000; HS 4849; EFV 200/300; EFV 250/400; CCRIS 1580; HSDB 604; iron(0); EINECS 231-096-4; Fe(0); E1UOL152H7; Iron, CP; MFCD00010999; hierro; Ferronyl; Eisen; Iron monocation; Iron compounds; Iron, ion (Fe1+); Blood stop; Reduced Iron; Iron, dialyzed; MFCD00148499; Electrolytic Iron; 12597-68-1; Iron ion (Fe+); Iron ion(1+); Iron(1+) ion; Iron, ACS reagent, low in Mg and Mn compounds; Iron, 99.99%, (trace metal basis), granules; Iron (Fe1+); Iron, 99%, powder, -70 mesh (<212 micron); Iron(1+); Fe1+; hydridoiron; Iron, foil, thickness 0.10 mm, 6 mm diameter, purity 99.8%; Iron, foil, thickness 0.10 mm, diameter 4 mm, purity 99.8%; Iron, foil, thickness 0.10 mm, diameter 8 mm, purity 99.8%; Iron, foil, thickness 0.10 mm, length 0.5 m, purity 99.8%; Iron, foil, thickness 0.10 mm, length 1 m, purity 99.8%; iron atom; iron hexahydride; Iron hydride; Zerovalent Iron; Iron standard solution, for AAS, 1 mg-ml Fe in 2 to 5% HNO3; Iron, foil, thickness 0.10 mm, 15 mm diameter, purity 99.8%; Iron, foil, thickness 0.10 mm, diameter 10 mm, purity 99.8%; Iron, foil, thickness 0.10 mm, diameter 50 mm, purity 99.8%; Iron, foil, thickness 0.10 mm, size 25 x 25 mm, purity 99.8%; Iron dust; Iron, carbonyl; Iron, reduced; Iron, foil, thickness 0.10 mm, size 100 x 100 mm, purity 99.8%; iron(iv) hydride; iron(iii) hydride; Iron, electrolytic; Reduce iron powder; FE2; Iron, ion (Fe1+) (8CI,9CI); Iron powder, reduced; Iron (0); Iron powder, 325 Mesh; ACMC-1BL1L; Iron, wire, purum p.a.; 26Fe; EC 231-096-4; Iron, puriss., 99.0%; 8048-10-0; KSC377E2L; Iron, p.a., 99.0%; DTXSID5043710; CHEBI:18248; CHEBI:82664; CTK2H7225; HSDB 7348; Stainless steel foil, type 304; Iron nanopowder, APS 10-30nm; Carbonyl iron, >=97% Fe basis; XEEYBQQBJWHFJM-UHFFFAOYSA-N; Stainless steel powder, type 316; ANW-46029; Iron, powder, -325 mesh, 97%; Stainless steel powder, type 304-L; AKOS015833241; DB01592; Iron metal, NIST(R) SRM(R) 937; Iron, SAJ special grade, >=99.0%; LS-3196; KS-000000D8; TRA-0204836; Iron, >=99%, reduced, powder (fine); Iron, purum p.a., >=98.0% (KT); SC-81783; Iron, chips, 99.98% trace metals basis; RT-000099; FT-0627292; FT-0761446; Iron, reduced, SAJ first grade, >=90.0%; Iron, powder, >=99.99% trace metals basis; Iron, wire, diam. 0.5 mm, >=99.99%; C00023; Iron powder, <10 um, =99.9% trace metals basis; Iron, foil, 4mm disks, thickness 0.01mm, 99.85%; Iron, foil, 6mm disks, thickness 0.01mm, 99.85%; Iron, foil, 8mm disks, thickness 0.01mm, 99.85%; Iron, powder, <10 mum, >=99.9% trace metals basis; Iron, rod, 100mm, diameter 25mm, as drawn, 98+%; Iron, rod, 100mm, diameter 30mm, as drawn, 98+%; Iron, rod, 100mm, diameter 50mm, as drawn, 98+%; Iron, rod, 200mm, diameter 25mm, as drawn, 98+%; Iron, rod, 200mm, diameter 30mm, as drawn, 98+%; Iron, rod, 200mm, diameter 50mm, as drawn, 98+%; Iron, rod, 500mm, diameter 25mm, as drawn, 98+%; Iron, rod, 500mm, diameter 30mm, as drawn, 98+%; Iron, rod, 500mm, diameter 50mm, as drawn, 98+%; I050000000; Iron, foil, 10m coil, thickness 0.1mm, hard, 99.5%; Iron, foil, 10m coil, thickness 0.5mm, hard, 99.5%; Iron, foil, 10mm disks, thickness 0.003mm, 99.85%; Iron, foil, 10mm disks, thickness 0.004mm, 99.85%; Iron, foil, 10mm disks, thickness 0.005mm, 99.85%; Iron, foil, 10mm disks, thickness 0.006mm, 99.85%; Iron, foil, 10mm disks, thickness 0.007mm, 99.85%; Iron, foil, 10mm disks, thickness 0.008mm, 99.85%; Iron, foil, 10mm disks, thickness 0.009mm, 99.85%; Iron, foil, 10mm disks, thickness 0.015mm, 99.85%; Iron, foil, 10mm disks, thickness 0.01mm, 99.85%; Iron, foil, 10mm disks, thickness 0.01mm, 99.99+%; Iron, foil, 10mm disks, thickness 0.020mm, 99.85%; Iron, foil, 15mm disks, thickness 0.003mm, 99.85%; Iron, foil, 15mm disks, thickness 0.004mm, 99.85%; Iron, foil, 15mm disks, thickness 0.005mm, 99.85%; Iron, foil, 15mm disks, thickness 0.006mm, 99.85%; Iron, foil, 15mm disks, thickness 0.007mm, 99.85%; Iron, foil, 15mm disks, thickness 0.008mm, 99.85%; Iron, foil, 15mm disks, thickness 0.009mm, 99.85%; Iron, foil, 15mm disks, thickness 0.015mm, 99.85%; Iron, foil, 15mm disks, thickness 0.01mm, 99.85%; Iron, foil, 15mm disks, thickness 0.01mm, 99.99+%; Iron, foil, 15mm disks, thickness 0.020mm, 99.85%; Iron, foil, 1m coil, thickness 0.05mm, hard, 99.5%; Iron, foil, 1m coil, thickness 0.15mm, hard, 99.5%; Iron, foil, 1m coil, thickness 0.1mm, hard, 99.5%; Iron, foil, 1m coil, thickness 0.20mm, hard, 99.5%; Iron, foil, 1m coil, thickness 0.25mm, hard, 99.5%; Iron, foil, 1m coil, thickness 0.38mm, hard, 99.5%; Iron, foil, 1m coil, thickness 0.5mm, hard, 99.5%; Iron, foil, 25mm disks, thickness 0.003mm, 99.85%; Iron, foil, 25mm disks, thickness 0.004mm, 99.85%; Iron, foil, 25mm disks, thickness 0.005mm, 99.85%; Iron, foil, 25mm disks, thickness 0.006mm, 99.85%; Iron, foil, 25mm disks, thickness 0.007mm, 99.85%; Iron, foil, 25mm disks, thickness 0.008mm, 99.85%; Iron, foil, 25mm disks, thickness 0.009mm, 99.85%; Iron, foil, 25mm disks, thickness 0.015mm, 99.85%; Iron, foil, 25mm disks, thickness 0.01mm, 99.99+%; Iron, foil, 25mm disks, thickness 0.020mm, 99.85%; Iron, foil, 25x25mm, thickness 0.1mm, hard, 99.5%; Iron, foil, 25x25mm, thickness 0.5mm, hard, 99.5%; Iron, foil, 2m coil, thickness 0.05mm, hard, 99.5%; Iron, foil, 2m coil, thickness 0.15mm, hard, 99.5%; Iron, foil, 2m coil, thickness 0.1mm, hard, 99.5%; Iron, foil, 2m coil, thickness 0.20mm, hard, 99.5%; Iron, foil, 2m coil, thickness 0.25mm, hard, 99.5%; Iron, foil, 2m coil, thickness 0.38mm, hard, 99.5%; Iron, foil, 2m coil, thickness 0.5mm, hard, 99.5%; Iron, foil, 4mm disks, thickness 0.003mm, 99.85%; Iron, foil, 4mm disks, thickness 0.004mm, 99.85%; Iron, foil, 4mm disks, thickness 0.004mm, 99.99+%; Iron, foil, 4mm disks, thickness 0.005mm, 99.85%; Iron, foil, 4mm disks, thickness 0.006mm, 99.85%; Iron, foil, 4mm disks, thickness 0.007mm, 99.85%; Iron, foil, 4mm disks, thickness 0.008mm, 99.85%; Iron, foil, 4mm disks, thickness 0.009mm, 99.85%; Iron, foil, 4mm disks, thickness 0.0125mm, 99.85%; Iron, foil, 4mm disks, thickness 0.015mm, 99.85%; Iron, foil, 4mm disks, thickness 0.015mm, 99.99+%; Iron, foil, 4mm disks, thickness 0.01mm, 99.99+%; Iron, foil, 4mm disks, thickness 0.020mm, 99.85%; Iron, foil, 4mm disks, thickness 0.1mm, hard, 99.5%; Iron, foil, 4mm disks, thickness 0.5mm, hard, 99.5%; Iron, foil, 50x50mm, thickness 0.1mm, hard, 99.5%; Iron, foil, 50x50mm, thickness 0.5mm, hard, 99.5%; Iron, foil, 5m coil, thickness 0.05mm, hard, 99.5%; Iron, foil, 5m coil, thickness 0.15mm, hard, 99.5%; Iron, foil, 5m coil, thickness 0.1mm, hard, 99.5%; Iron, foil, 5m coil, thickness 0.20mm, hard, 99.5%; Iron, foil, 5m coil, thickness 0.25mm, hard, 99.5%; Iron, foil, 5m coil, thickness 0.5mm, hard, 99.5%; Iron, foil, 6mm disks, thickness 0.003mm, 99.85%; Iron, foil, 6mm disks, thickness 0.004mm, 99.85%; Iron, foil, 6mm disks, thickness 0.004mm, 99.99+%; Iron, foil, 6mm disks, thickness 0.005mm, 99.85%; Iron, foil, 6mm disks, thickness 0.006mm, 99.85%; Iron, foil, 6mm disks, thickness 0.007mm, 99.85%; Iron, foil, 6mm disks, thickness 0.008mm, 99.85%; Iron, foil, 6mm disks, thickness 0.009mm, 99.85%; Iron, foil, 6mm disks, thickness 0.0125mm, 99.85%; Iron, foil, 6mm disks, thickness 0.015mm, 99.85%; Iron, foil, 6mm disks, thickness 0.015mm, 99.99+%; Iron, foil, 6mm disks, thickness 0.01mm, 99.99+%; Iron, foil, 6mm disks, thickness 0.020mm, 99.85%; Iron, foil, 6mm disks, thickness 0.1mm, hard, 99.5%; Iron, foil, 6mm disks, thickness 0.5mm, hard, 99.5%; Iron, foil, 8mm disks, thickness 0.003mm, 99.85%; Iron, foil, 8mm disks, thickness 0.004mm, 99.85%; Iron, foil, 8mm disks, thickness 0.004mm, 99.99+%; Iron, foil, 8mm disks, thickness 0.005mm, 99.85%; Iron, foil, 8mm disks, thickness 0.006mm, 99.85%; Iron, foil, 8mm disks, thickness 0.007mm, 99.85%; Iron, foil, 8mm disks, thickness 0.008mm, 99.85%; Iron, foil, 8mm disks, thickness 0.009mm, 99.85%; Iron, foil, 8mm disks, thickness 0.0125mm, 99.85%; Iron, foil, 8mm disks, thickness 0.015mm, 99.85%; Iron, foil, 8mm disks, thickness 0.015mm, 99.99+%; Iron, foil, 8mm disks, thickness 0.01mm, 99.99+%; Iron, foil, 8mm disks, thickness 0.020mm, 99.85%; Iron, foil, 8mm disks, thickness 0.1mm, hard, 99.5%; Iron, foil, 8mm disks, thickness 0.5mm, hard, 99.5%; Iron, rod, 1000mm, diameter 25mm, as drawn, 98+%; Iron, rod, 1000mm, diameter 3.2mm, as drawn, 98+%; Iron, rod, 1000mm, diameter 30mm, as drawn, 98+%; Iron, rod, 1000mm, diameter 4.8mm, as drawn, 98+%; Iron, rod, 1000mm, diameter 9.5mm, as drawn, 98+%; Iron, rod, 100mm, diameter 12.7mm, as drawn, 98+%; Iron, rod, 100mm, diameter 19.0mm, as drawn, 98+%; Iron, rod, 100mm, diameter 3.2mm, as drawn, 98+%; Iron, rod, 100mm, diameter 4.8mm, as drawn, 98+%; Iron, rod, 100mm, diameter 6.35mm, as drawn, 98+%; Iron, rod, 100mm, diameter 9.5mm, as drawn, 98+%; Iron, rod, 200mm, diameter 12.7mm, as drawn, 98+%; Iron, rod, 200mm, diameter 19.0mm, as drawn, 98+%; Iron, rod, 200mm, diameter 3.2mm, as drawn, 98+%; Iron, rod, 200mm, diameter 4.8mm, as drawn, 98+%; Iron, rod, 200mm, diameter 6.35mm, as drawn, 98+%; Iron, rod, 200mm, diameter 9.5mm, as drawn, 98+%; Iron, rod, 500mm, diameter 12.7mm, as drawn, 98+%; Iron, rod, 500mm, diameter 19.0mm, as drawn, 98+%; Iron, rod, 500mm, diameter 3.2mm, as drawn, 98+%; Iron, rod, 500mm, diameter 4.8mm, as drawn, 98+%; Iron, rod, 500mm, diameter 6.35mm, as drawn, 98+%; Iron, rod, 500mm, diameter 9.5mm, as drawn, 98+%; Iron, rod, diam. 6.3 mm, 99.98% trace metals basis; Iron, wire reel, 1m, diameter 0.5mm, hard, 99.99+%; Iron, wire reel, 20m, diameter 0.25mm, hard, 99.5%; Iron, wire reel, 2m, diameter 0.5mm, hard, 99.99+%; Iron, wire reel, 50m, diameter 0.25mm, hard, 99.5%; Iron, wire reel, 5m, diameter 0.5mm, hard, 99.99+%; Iron, ACS reagent, granular, low in magnesium and manganese; Iron, foil, 0.5m coil, thickness 0.05mm, hard, 99.5%; Iron, foil, 0.5m coil, thickness 0.1mm, hard, 99.5%; Iron, foil, 100x100mm, thickness 0.15mm, hard, 99.5%; Iron, foil, 100x100mm, thickness 0.1mm, hard, 99.5%; Iron, foil, 100x100mm, thickness 0.20mm, hard, 99.5%; Iron, foil, 100x100mm, thickness 0.25mm, hard, 99.5%; Iron, foil, 100x100mm, thickness 0.38mm, hard, 99.5%; Iron, foil, 100x100mm, thickness 0.5mm, hard, 99.5%; Iron, foil, 10m coil, thickness 0.038mm, hard, 99.5%; Iron, foil, 10m coil, thickness 0.05mm, hard, 99.5%; Iron, foil, 10m coil, thickness 0.075mm, hard, 99.5%; Iron, foil, 10m coil, thickness 0.125mm, hard, 99.5%; Iron, foil, 10m coil, thickness 0.15mm, hard, 99.5%; Iron, foil, 10m coil, thickness 0.20mm, hard, 99.5%; Iron, foil, 10m coil, thickness 0.25mm, hard, 99.5%; Iron, foil, 10mm disks, thickness 0.004mm, 99.99+%; Iron, foil, 10mm disks, thickness 0.0125mm, 99.85%; Iron, foil, 10mm disks, thickness 0.0125mm, 99.99+%; Iron, foil, 10mm disks, thickness 0.015mm, 99.99+%; Iron, foil, 10mm disks, thickness 0.05mm, hard, 99.5%; Iron, foil, 10mm disks, thickness 0.15mm, hard, 99.5%; Iron, foil, 10mm disks, thickness 0.1mm, hard, 99.5%; Iron, foil, 10mm disks, thickness 0.20mm, hard, 99.5%; Iron, foil, 10mm disks, thickness 0.25mm, hard, 99.5%; Iron, foil, 10mm disks, thickness 0.38mm, hard, 99.5%; Iron, foil, 10mm disks, thickness 0.5mm, hard, 99.5%; Iron, foil, 150x150mm, thickness 0.15mm, hard, 99.5%; Iron, foil, 150x150mm, thickness 0.1mm, hard, 99.5%; Iron, foil, 150x150mm, thickness 0.20mm, hard, 99.5%; Iron, foil, 150x150mm, thickness 0.25mm, hard, 99.5%; Iron, foil, 150x150mm, thickness 0.38mm, hard, 99.5%; Iron, foil, 150x150mm, thickness 0.5mm, hard, 99.5%; Iron, foil, 15mm disks, thickness 0.004mm, 99.99+%; Iron, foil, 15mm disks, thickness 0.0125mm, 99.85%; Iron, foil, 15mm disks, thickness 0.0125mm, 99.99+%; Iron, foil, 15mm disks, thickness 0.015mm, 99.99+%; Iron, foil, 15mm disks, thickness 0.05mm, hard, 99.5%; Iron, foil, 15mm disks, thickness 0.15mm, hard, 99.5%; Iron, foil, 15mm disks, thickness 0.1mm, hard, 99.5%; Iron, foil, 15mm disks, thickness 0.20mm, hard, 99.5%; Iron, foil, 15mm disks, thickness 0.25mm, hard, 99.5%; Iron, foil, 15mm disks, thickness 0.38mm, hard, 99.5%; Iron, foil, 15mm disks, thickness 0.5mm, hard, 99.5%; Iron, foil, 1m coil, thickness 0.025mm, hard, 99.5%; Iron, foil, 1m coil, thickness 0.038mm, hard, 99.5%; Iron, foil, 1m coil, thickness 0.075mm, hard, 99.5%; Iron, foil, 1m coil, thickness 0.125mm, hard, 99.5%; Iron, foil, 20m coil, thickness 0.038mm, hard, 99.5%; Iron, foil, 20m coil, thickness 0.05mm, hard, 99.5%; Iron, foil, 20m coil, thickness 0.075mm, hard, 99.5%; Iron, foil, 25mm disks, thickness 0.0125mm, 99.85%; Iron, foil, 25mm disks, thickness 0.015mm, 99.99+%; Iron, foil, 25mm disks, thickness 0.05mm, hard, 99.5%; Iron, foil, 25mm disks, thickness 0.15mm, hard, 99.5%; Iron, foil, 25mm disks, thickness 0.1mm, hard, 99.5%; Iron, foil, 25mm disks, thickness 0.20mm, hard, 99.5%; Iron, foil, 25mm disks, thickness 0.25mm, hard, 99.5%; Iron, foil, 25mm disks, thickness 0.38mm, hard, 99.5%; Iron, foil, 25mm disks, thickness 0.5mm, hard, 99.5%; Iron, foil, 25x25mm, thickness 0.125mm, hard, 99.5%; Iron, foil, 25x25mm, thickness 0.15mm, hard, 99.5%; Iron, foil, 25x25mm, thickness 0.20mm, hard, 99.5%; Iron, foil, 25x25mm, thickness 0.25mm, hard, 99.5%; Iron, foil, 25x25mm, thickness 0.38mm, hard, 99.5%; Iron, foil, 2m coil, thickness 0.025mm, hard, 99.5%; Iron, foil, 2m coil, thickness 0.038mm, hard, 99.5%; Iron, foil, 2m coil, thickness 0.075mm, hard, 99.5%; Iron, foil, 2m coil, thickness 0.125mm, hard, 99.5%; Iron, foil, 300x300mm, thickness 0.15mm, hard, 99.5%; Iron, foil, 300x300mm, thickness 0.1mm, hard, 99.5%; Iron, foil, 300x300mm, thickness 0.20mm, hard, 99.5%; Iron, foil, 300x300mm, thickness 0.25mm, hard, 99.5%; Iron, foil, 300x300mm, thickness 0.38mm, hard, 99.5%; Iron, foil, 300x300mm, thickness 0.5mm, hard, 99.5%; Iron, foil, 4mm disks, thickness 0.0125mm, 99.99+%; Iron, foil, 4mm disks, thickness 0.025mm, hard, 99.5%; Iron, foil, 4mm disks, thickness 0.038mm, hard, 99.5%; Iron, foil, 4mm disks, thickness 0.05mm, hard, 99.5%; Iron, foil, 4mm disks, thickness 0.075mm, hard, 99.5%; Iron, foil, 4mm disks, thickness 0.125mm, hard, 99.5%; Iron, foil, 4mm disks, thickness 0.15mm, hard, 99.5%; Iron, foil, 4mm disks, thickness 0.20mm, hard, 99.5%; Iron, foil, 4mm disks, thickness 0.25mm, hard, 99.5%; Iron, foil, 4mm disks, thickness 0.38mm, hard, 99.5%; Iron, foil, 50m coil, thickness 0.075mm, hard, 99.5%; Iron, foil, 50mm disks, thickness 0.05mm, hard, 99.5%; Iron, foil, 50mm disks, thickness 0.15mm, hard, 99.5%; Iron, foil, 50mm disks, thickness 0.1mm, hard, 99.5%; Iron, foil, 50mm disks, thickness 0.20mm, hard, 99.5%; Iron, foil, 50mm disks, thickness 0.25mm, hard, 99.5%; Iron, foil, 50mm disks, thickness 0.38mm, hard, 99.5%; Iron, foil, 50mm disks, thickness 0.5mm, hard, 99.5%; Iron, foil, 50x50mm, thickness 0.125mm, hard, 99.5%; Iron, foil, 50x50mm, thickness 0.15mm, hard, 99.5%; Iron, foil, 50x50mm, thickness 0.20mm, hard, 99.5%; Iron, foil, 50x50mm, thickness 0.25mm, hard, 99.5%; Iron, foil, 50x50mm, thickness 0.38mm, hard, 99.5%; Iron, foil, 5m coil, thickness 0.025mm, hard, 99.5%; Iron, foil, 5m coil, thickness 0.038mm, hard, 99.5%; Iron, foil, 5m coil, thickness 0.075mm, hard, 99.5%; Iron, foil, 5m coil, thickness 0.125mm, hard, 99.5%; Iron, foil, 6mm disks, thickness 0.0125mm, 99.99+%; Iron, foil, 6mm disks, thickness 0.025mm, hard, 99.5%; Iron, foil, 6mm disks, thickness 0.038mm, hard, 99.5%; Iron, foil, 6mm disks, thickness 0.05mm, hard, 99.5%; Iron, foil, 6mm disks, thickness 0.075mm, hard, 99.5%; Iron, foil, 6mm disks, thickness 0.125mm, hard, 99.5%; Iron, foil, 6mm disks, thickness 0.15mm, hard, 99.5%; Iron, foil, 6mm disks, thickness 0.20mm, hard, 99.5%; Iron, foil, 6mm disks, thickness 0.25mm, hard, 99.5%; Iron, foil, 6mm disks, thickness 0.38mm, hard, 99.5%; Iron, foil, 8mm disks, thickness 0.0125mm, 99.99+%; Iron, foil, 8mm disks, thickness 0.025mm, hard, 99.5%; Iron, foil, 8mm disks, thickness 0.038mm, hard, 99.5%; Iron, foil, 8mm disks, thickness 0.05mm, hard, 99.5%; Iron, foil, 8mm disks, thickness 0.075mm, hard, 99.5%; Iron, foil, 8mm disks, thickness 0.125mm, hard, 99.5%; Iron, foil, 8mm disks, thickness 0.15mm, hard, 99.5%; Iron, foil, 8mm disks, thickness 0.20mm, hard, 99.5%; Iron, foil, 8mm disks, thickness 0.25mm, hard, 99.5%; Iron, foil, 8mm disks, thickness 0.38mm, hard, 99.5%; Iron, granular, 10-40 mesh, >99.99% trace metals basis; Iron, IRMM(R) certified Reference Material, 0.1 mm foil; Iron, IRMM(R) certified Reference Material, 0.5 mm wire; Iron, Oil based standard solution, Specpure, Fe 5000g/g; Iron, rod, 1000mm, diameter 12.7mm, as drawn, 98+%; Iron, rod, 1000mm, diameter 19.0mm, as drawn, 98+%; Iron, rod, 1000mm, diameter 2.0mm, as drawn, 99.95%; Iron, rod, 1000mm, diameter 2.0mm, as drawn, 99.99+%; Iron, rod, 1000mm, diameter 3.0mm, as drawn, 99.99+%; Iron, rod, 1000mm, diameter 6.35mm, as drawn, 98+%; Iron, rod, 100mm, diameter 10.0mm, as drawn, 99.99+%; Iron, rod, 100mm, diameter 12.7mm, as drawn, 99.95%; Iron, rod, 100mm, diameter 2.0mm, as drawn, 99.95%; Iron, rod, 100mm, diameter 2.0mm, as drawn, 99.99+%; Iron, rod, 100mm, diameter 3.0mm, as drawn, 99.99+%; Iron, rod, 100mm, diameter 5.0mm, as drawn, 99.99+%; Iron, rod, 100mm, diameter 6.0mm, as drawn, 99.99+%; Iron, rod, 100mm, diameter 8.0mm, as drawn, 99.99+%; Iron, rod, 150mm, diameter 5.0mm, as drawn, 99.99+%; Iron, rod, 150mm, diameter 6.0mm, as drawn, 99.99+%; Iron, rod, 200mm, diameter 12.7mm, as drawn, 99.95%; Iron, rod, 200mm, diameter 2.0mm, as drawn, 99.95%; Iron, rod, 200mm, diameter 2.0mm, as drawn, 99.99+%; Iron, rod, 200mm, diameter 3.0mm, as drawn, 99.99+%; Iron, rod, 200mm, diameter 8.0mm, as drawn, 99.99+%; Iron, rod, 25mm, diameter 10.0mm, as drawn, 99.99+%; Iron, rod, 300mm, diameter 5.0mm, as drawn, 99.99+%; Iron, rod, 300mm, diameter 6.0mm, as drawn, 99.99+%; Iron, rod, 4 mm diameter, length 100 mm, purity 98+%; Iron, rod, 4 mm diameter, length 1000 mm, purity 98+%; Iron, rod, 4 mm diameter, length 200 mm, purity 98+%; Iron, rod, 4 mm diameter, length 500 mm, purity 98+%; Iron, rod, 500mm, diameter 12.7mm, as drawn, 99.95%; Iron, rod, 500mm, diameter 2.0mm, as drawn, 99.95%; Iron, rod, 500mm, diameter 2.0mm, as drawn, 99.99+%; Iron, rod, 500mm, diameter 3.0mm, as drawn, 99.99+%; Iron, rod, 50mm, diameter 10.0mm, as drawn, 99.99+%; Iron, rod, 50mm, diameter 12.7mm, as drawn, 99.95%; Iron, rod, 50mm, diameter 5.0mm, as drawn, 99.99+%; Iron, rod, 50mm, diameter 6.0mm, as drawn, 99.99+%; Iron, rod, 50mm, diameter 8.0mm, as drawn, 99.99+%; Iron, wire reel, 0.1m, diameter 0.5mm, hard, 99.99+%; Iron, wire reel, 0.5m, diameter 0.5mm, hard, 99.99+%; Iron, wire reel, 1000m, diameter 0.25mm, hard, 99.5%; Iron, wire reel, 100m, diameter 0.065mm, hard, 99.5%; Iron, wire reel, 100m, diameter 0.125mm, hard, 99.5%; Iron, wire reel, 10m, diameter 0.065mm, hard, 99.5%; Iron, wire reel, 10m, diameter 0.25mm, hard, 99.99+%; Iron, wire reel, 1m, diameter 0.13mm, hard, 99.99+%; Iron, wire reel, 1m, diameter 0.25mm, hard, 99.99+%; Iron, wire reel, 1m, diameter 0.5mm, as drawn, 99.95%; Iron, wire reel, 2000m, diameter 0.25mm, hard, 99.5%; Iron, wire reel, 20m, diameter 0.125mm, hard, 99.5%; Iron, wire reel, 250m, diameter 0.065mm, hard, 99.5%; Iron, wire reel, 250m, diameter 0.25mm, hard, 99.5%; Iron, wire reel, 2m, diameter 0.13mm, hard, 99.99+%; Iron, wire reel, 2m, diameter 0.25mm, hard, 99.99+%; Iron, wire reel, 500m, diameter 0.125mm, hard, 99.5%; Iron, wire reel, 50m, diameter 0.065mm, hard, 99.5%; Iron, wire reel, 5m, diameter 0.13mm, hard, 99.99+%; Iron, wire reel, 5m, diameter 0.25mm, hard, 99.99+%; Iron, wire reel, 5m, diameter 0.5mm, as drawn, 99.95%; Iron, wire, 0.03 mm diameter, length 5 m, purity 99.5%; Iron, wire, 0.05 mm diameter, length 5 m, purity 99.5%; Iron, wire, 1.0 mm diameter, length 10 m, purity 99.5%; Iron, wire, 1.0 mm diameter, length 20 m, purity 99.5%; Iron, wire, 1.0 mm diameter, length 50 m, purity 99.5%; Iron, wire, diam. 0.5 mm, >=99.9% trace metals basis; Iron, wire, diam. 1.0 mm, >=99.9% trace metals basis; Iron, wire, diam. 1.0 mm, >=99.99% trace metals basis; Iron, foil, 0.5m coil, thickness 0.025mm, hard, 99.5%; Iron, foil, 0.5m coil, thickness 0.038mm, hard, 99.5%; Iron, foil, 100x100mm, thickness 0.125mm, hard, 99.5%; Iron, foil, 100x100mm, thickness 0.9mm, as rolled, 99.5%; Iron, foil, 100x100mm, thickness 1.0mm, as rolled, 99.5%; Iron, foil, 100x100mm, thickness 1.5mm, as rolled, 99.5%; Iron, foil, 10mm disks, thickness 0.025mm, hard, 99.5%; Iron, foil, 10mm disks, thickness 0.038mm, hard, 99.5%; Iron, foil, 10mm disks, thickness 0.075mm, hard, 99.5%; Iron, foil, 10mm disks, thickness 0.125mm, hard, 99.5%; Iron, foil, 10mm disks, thickness 0.9mm, as rolled, 99.5%; Iron, foil, 10mm disks, thickness 1.0mm, as rolled, 99.5%; Iron, foil, 150x150mm, thickness 0.125mm, hard, 99.5%; Iron, foil, 150x150mm, thickness 0.9mm, as rolled, 99.5%; Iron, foil, 150x150mm, thickness 1.0mm, as rolled, 99.5%; Iron, foil, 150x150mm, thickness 1.5mm, as rolled, 99.5%; Iron, foil, 150x150mm, thickness 3.0mm, as rolled, 99.5%; Iron, foil, 150x150mm, thickness 5mm, as rolled, 99.8+%; Iron, foil, 15mm disks, thickness 0.025mm, hard, 99.5%; Iron, foil, 15mm disks, thickness 0.038mm, hard, 99.5%; Iron, foil, 15mm disks, thickness 0.075mm, hard, 99.5%; Iron, foil, 15mm disks, thickness 0.125mm, hard, 99.5%; Iron, foil, 15mm disks, thickness 0.9mm, as rolled, 99.5%; Iron, foil, 15mm disks, thickness 1.0mm, as rolled, 99.5%; Iron, foil, 25mm disks, thickness 0.025mm, hard, 99.5%; Iron, foil, 25mm disks, thickness 0.038mm, hard, 99.5%; Iron, foil, 25mm disks, thickness 0.075mm, hard, 99.5%; Iron, foil, 25mm disks, thickness 0.125mm, hard, 99.5%; Iron, foil, 25mm disks, thickness 0.9mm, as rolled, 99.5%; Iron, foil, 25mm disks, thickness 1.0mm, as rolled, 99.5%; Iron, foil, 25x25mm, thickness 0.5mm, as rolled, 99.99+%; Iron, foil, 25x25mm, thickness 0.9mm, as rolled, 99.5%; Iron, foil, 25x25mm, thickness 1.0mm, as rolled, 99.5%; Iron, foil, 25x25mm, thickness 1.0mm, as rolled, 99.99+%; Iron, foil, 25x25mm, thickness 1.5mm, as rolled, 99.5%; Iron, foil, 25x25mm, thickness 2.0mm, as rolled, 99.95%; Iron, foil, 25x25mm, thickness 2mm, as rolled, 99.99+%; Iron, foil, 25x25mm, thickness 3.1mm, as rolled, 99.95%; Iron, foil, 300x300mm, thickness 0.125mm, hard, 99.5%; Iron, foil, 300x300mm, thickness 0.9mm, as rolled, 99.5%; Iron, foil, 300x300mm, thickness 1.0mm, as rolled, 99.5%; Iron, foil, 300x300mm, thickness 3.0mm, as rolled, 99.5%; Iron, foil, 4mm disks, thickness 0.5mm, as rolled, 99.99+%; Iron, foil, 4mm disks, thickness 0.9mm, as rolled, 99.5%; Iron, foil, 4mm disks, thickness 1.0mm, as rolled, 99.5%; Iron, foil, 500x500mm, thickness 1.5mm, as rolled, 99.5%; Iron, foil, 50mm disks, thickness 0.025mm, hard, 99.5%; Iron, foil, 50mm disks, thickness 0.038mm, hard, 99.5%; Iron, foil, 50mm disks, thickness 0.075mm, hard, 99.5%; Iron, foil, 50mm disks, thickness 0.125mm, hard, 99.5%; Iron, foil, 50mm disks, thickness 0.9mm, as rolled, 99.5%; Iron, foil, 50mm disks, thickness 1.0mm, as rolled, 99.5%; Iron, foil, 50x50mm, thickness 0.5mm, as rolled, 99.99+%; Iron, foil, 50x50mm, thickness 0.9mm, as rolled, 99.5%; Iron, foil, 50x50mm, thickness 1.0mm, as rolled, 99.5%; Iron, foil, 50x50mm, thickness 1.0mm, as rolled, 99.99+%; Iron, foil, 50x50mm, thickness 1.5mm, as rolled, 99.5%; Iron, foil, 50x50mm, thickness 2.0mm, as rolled, 99.95%; Iron, foil, 50x50mm, thickness 2mm, as rolled, 99.99+%; Iron, foil, 50x50mm, thickness 3.1mm, as rolled, 99.95%; Iron, foil, 6mm disks, thickness 0.5mm, as rolled, 99.99+%; Iron, foil, 6mm disks, thickness 0.9mm, as rolled, 99.5%; Iron, foil, 6mm disks, thickness 1.0mm, as rolled, 99.5%; Iron, foil, 8mm disks, thickness 0.5mm, as rolled, 99.99+%; Iron, foil, 8mm disks, thickness 0.9mm, as rolled, 99.5%; Iron, foil, 8mm disks, thickness 1.0mm, as rolled, 99.5%; Iron, foil, thickness 0.1 mm, >=99.9% trace metals basis; Iron, foil, thickness 0.10 mm, length 2 m, purity 99.8%; Iron, foil, thickness 0.25 mm, >=99.99% trace metals basis; Iron, foil, thickness 0.9 mm, 25 mm diameter, purity 99.5%; Iron, foil, thickness 0.9 mm, 4 mm diameter, purity 99.5%; Iron, foil, thickness 0.9 mm, 50 mm diameter, purity 99.5%; Iron, foil, thickness 0.9 mm, 6 mm diameter, purity 99.5%; Iron, foil, thickness 0.9 mm, 8 mm diameter, purity 99.5%; Iron, foil, thickness 0.9 mm, diameter 10 mm, purity 99.5%; Iron, foil, thickness 0.9 mm, diameter 15 mm, purity 99.5%; Iron, rod, 2.0 mm diameter, length 21 mm, purity 99.95%; Iron, rod, 25.4 mm diameter, length 100 mm, purity 99.8%; Iron, rod, 25.4 mm diameter, length 1000 mm, purity 99.8%; Iron, rod, 25.4 mm diameter, length 200 mm, purity 99.8%; Iron, rod, 25.4 mm diameter, length 50 mm, purity 99.8%; Iron, rod, 25.4 mm diameter, length 500 mm, purity 99.8%; Iron, rod, 27.0 mm diameter, length 100 mm, purity 99.8%; Iron, rod, 27.0 mm diameter, length 200 mm, purity 99.8%; Iron, rod, 27.0 mm diameter, length 50 mm, purity 99.8%; Iron, rod, length 400 mm, 27.0 mm diameter, purity 99.8%; Iron, wire reel, 0.1m, diameter 0.5mm, as drawn, 99.998%; Iron, wire reel, 0.1m, diameter 1.0mm, as drawn, 99.99+%; Iron, wire reel, 0.2m, diameter 0.5mm, as drawn, 99.998%; Iron, wire reel, 0.2m, diameter 1.0mm, as drawn, 99.99+%; Iron, wire reel, 0.5m, diameter 0.13mm, hard, 99.99+%; Iron, wire reel, 0.5m, diameter 0.25mm, annealed, 99.99+%; Iron, wire reel, 0.5m, diameter 0.25mm, hard, 99.99+%; Iron, wire reel, 0.5m, diameter 0.5mm, as drawn, 99.998%; Iron, wire reel, 0.5m, diameter 1.0mm, as drawn, 99.99+%; Iron, wire reel, 1000m, diameter 0.065mm, hard, 99.5%; Iron, wire reel, 1000m, diameter 0.125mm, hard, 99.5%; Iron, wire reel, 10m, diameter 0.25mm, annealed, 99.99+%; Iron, wire reel, 10m, diameter 0.5mm, as drawn, 99.95%; Iron, wire reel, 1m, diameter 0.025mm, as drawn, 99.99+%; Iron, wire reel, 1m, diameter 0.25mm, annealed, 99.99+%; Iron, wire reel, 1m, diameter 0.5mm, as drawn, 99.998%; Iron, wire reel, 1m, diameter 1.0mm, as drawn, 99.99+%; Iron, wire reel, 2000m, diameter 0.065mm, hard, 99.5%; Iron, wire reel, 2000m, diameter 0.125mm, hard, 99.5%; Iron, wire reel, 20m, diameter 0.5mm, as drawn, 99.95%; Iron, wire reel, 2m, diameter 0.25mm, annealed, 99.99+%; Iron, wire reel, 2m, diameter 1.0mm, as drawn, 99.99+%; Iron, wire reel, 50m, diameter 0.5mm, as drawn, 99.95%; Iron, wire reel, 5m, diameter 0.025mm, as drawn, 99.99+%; Iron, wire reel, 5m, diameter 0.25mm, annealed, 99.99+%; Iron, wire, 0.03 mm diameter, length 10 m, purity 99.5%; Iron, wire, 0.03 mm diameter, length 20 m, purity 99.5%; Iron, wire, 0.03 mm diameter, length 50 m, purity 99.5%; Iron, wire, 0.05 mm diameter, length 10 m, purity 99.5%; Iron, wire, 0.05 mm diameter, length 20 m, purity 99.5%; Iron, wire, 0.05 mm diameter, length 50 m, purity 99.5%; Iron, wire, 1.0 mm diameter, length 100 m, purity 99.5%; Iron, wire, 1.0 mm diameter, length 200 m, purity 99.5%; Iron slug, 3.175mm (0.125in) dia x 6.35mm (0.25in) length; Iron, foil, 100x100mm, thickness 0.125mm, as rolled, 99.99+%; Iron, foil, 100x100mm, thickness 0.25mm, as rolled, 99.99+%; Iron, foil, 100x100mm, thickness 0.5mm, as rolled, 99.99+%; Iron, foil, 100x100mm, thickness 1.0mm, as rolled, 99.99+%; Iron, foil, 100x100mm, thickness 1.83mm, Quarter hard, 99.5%; Iron, foil, 100x100mm, thickness 2.0mm, as rolled, 99.95%; Iron, foil, 100x100mm, thickness 3.1mm, as rolled, 99.95%; Iron, foil, 10mm disks, thickness 0.025mm, as rolled, 99.99+%; Iron, foil, 10mm disks, thickness 0.05mm, as rolled, 99.99+%; Iron, foil, 10mm disks, thickness 0.075mm, as rolled, 99.99+%; Iron, foil, 10mm disks, thickness 0.125mm, as rolled, 99.99+%; Iron, foil, 10mm disks, thickness 0.25mm, as rolled, 99.99+%; Iron, foil, 10mm disks, thickness 0.5mm, as rolled, 99.99+%; Iron, foil, 150x150mm, thickness 1.83mm, Quarter hard, 99.5%; Iron, foil, 15mm disks, thickness 0.025mm, as rolled, 99.99+%; Iron, foil, 15mm disks, thickness 0.05mm, as rolled, 99.99+%; Iron, foil, 15mm disks, thickness 0.075mm, as rolled, 99.99+%; Iron, foil, 15mm disks, thickness 0.125mm, as rolled, 99.99+%; Iron, foil, 15mm disks, thickness 0.25mm, as rolled, 99.99+%; Iron, foil, 15mm disks, thickness 0.5mm, as rolled, 99.99+%; Iron, foil, 25mm disks, thickness 0.05mm, as rolled, 99.99+%; Iron, foil, 25mm disks, thickness 0.075mm, as rolled, 99.99+%; Iron, foil, 25mm disks, thickness 0.125mm, as rolled, 99.99+%; Iron, foil, 25mm disks, thickness 0.25mm, as rolled, 99.99+%; Iron, foil, 25x25mm, thickness 0.125mm, as rolled, 99.99+%; Iron, foil, 25x25mm, thickness 0.25mm, as rolled, 99.99+%; Iron, foil, 25x25mm, thickness 1.83mm, Quarter hard, 99.5%; Iron, foil, 4mm disks, thickness 0.025mm, as rolled, 99.99+%; Iron, foil, 4mm disks, thickness 0.05mm, as rolled, 99.99+%; Iron, foil, 4mm disks, thickness 0.075mm, as rolled, 99.99+%; Iron, foil, 4mm disks, thickness 0.125mm, as rolled, 99.99+%; Iron, foil, 4mm disks, thickness 0.25mm, as rolled, 99.99+%; Iron, foil, 50x50mm, thickness 0.125mm, as rolled, 99.99+%; Iron, foil, 50x50mm, thickness 0.25mm, as rolled, 99.99+%; Iron, foil, 50x50mm, thickness 1.83mm, Quarter hard, 99.5%; Iron, foil, 6mm disks, thickness 0.025mm, as rolled, 99.99+%; Iron, foil, 6mm disks, thickness 0.05mm, as rolled, 99.99+%; Iron, foil, 6mm disks, thickness 0.075mm, as rolled, 99.99+%; Iron, foil, 6mm disks, thickness 0.125mm, as rolled, 99.99+%; Iron, foil, 6mm disks, thickness 0.25mm, as rolled, 99.99+%; Iron, foil, 8mm disks, thickness 0.025mm, as rolled, 99.99+%; Iron, foil, 8mm disks, thickness 0.05mm, as rolled, 99.99+%; Iron, foil, 8mm disks, thickness 0.075mm, as rolled, 99.99+%; Iron, foil, 8mm disks, thickness 0.125mm, as rolled, 99.99+%; Iron, foil, 8mm disks, thickness 0.25mm, as rolled, 99.99+%; Iron, foil, light tested, 25x25mm, thickness 0.008mm, 99.85%; Iron, foil, light tested, 25x25mm, thickness 0.0125mm, 99.85%; Iron, foil, light tested, 25x25mm, thickness 0.015mm, 99.85%; Iron, foil, light tested, 25x25mm, thickness 0.015mm, 99.99+%; Iron, foil, light tested, 25x25mm, thickness 0.01mm, 99.85%; Iron, foil, light tested, 25x25mm, thickness 0.01mm, 99.99+%; Iron, foil, light tested, 25x25mm, thickness 0.020mm, 99.85%; Iron, foil, light tested, 50x50mm, thickness 0.0125mm, 99.85%; Iron, foil, light tested, 50x50mm, thickness 0.015mm, 99.85%; Iron, foil, light tested, 50x50mm, thickness 0.015mm, 99.99+%; Iron, foil, light tested, 50x50mm, thickness 0.01mm, 99.99+%; Iron, foil, light tested, 50x50mm, thickness 0.020mm, 99.85%; Iron, foil, thickness 0.10 mm, 25 mm diameter, purity 99.8%; Iron, foil, thickness 0.10 mm, diameter 25 mm, purity 99.8%; Iron, foil, thickness 0.10 mm, purity 99.8%, size 50 x 50 mm; Iron, foil, thickness 0.10 mm, size 50 x 50 mm, purity 99.8%; Iron, foil, thickness 0.9 mm, purity 99.5%, size 200 x 200 mm; Iron, foil, thickness 0.9 mm, size 100 x 100 mm, purity 99.5%; Iron, foil, thickness 1.5 mm, size 150 x 150 mm, purity 99.8%; Iron, foil, thickness 1.5 mm, size 300 x 300 mm, purity 99.8%; Iron, foil, thickness 1.63 mm, size 50 x 50 mm, purity 99.5%; Iron, foil, thickness 3.0 mm, size 305 x 305 mm, purity 99.5%; Iron, lump, 10 mm max. lump size, weight 100 g, purity 99.95%; Iron, lump, 10 mm max. lump size, weight 20 g, purity 99.95%; Iron, lump, 10 mm max. lump size, weight 50 g, purity 99.95%; Iron, nanopowder, 25 nm avg. part. size, 99.5% trace metals basis; Iron, nanopowder, 40-60 nm particle size, 99% trace metals basis; Iron, rod, 1000mm, diameter 19mm, as drawn, soft ingot 99.8%; Iron, rod, 1000mm, diameter 6.35mm, as drawn, soft ingot 99.8%; Iron, rod, 1000mm, diameter 9.5mm, as drawn, soft ingot 99.8+%; Iron, rod, 100mm, diameter 19mm, as drawn, soft ingot 99.8%; Iron, rod, 100mm, diameter 6.35mm, as drawn, soft ingot 99.8%; Iron, rod, 100mm, diameter 9.5mm, as drawn, soft ingot 99.8+%; Iron, rod, 200mm, diameter 19mm, as drawn, soft ingot 99.8%; Iron, rod, 200mm, diameter 6.35mm, as drawn, soft ingot 99.8%; Iron, rod, 200mm, diameter 9.5mm, as drawn, soft ingot 99.8+%; Iron, rod, 3.0 mm diameter, length 50 mm, high purity 99.99+%; Iron, rod, 4.0 mm diameter, length 100 mm, high purity 99.99+%; Iron, rod, 4.0 mm diameter, length 200 mm, high pu",
"trade_name": "",
"abbrev_name": "Fe",
"description": "element",
"molecular_formula": "Fe",
"molecular_weight": "55.84",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "The efficiency of absorption depends on the salt form, the amount administered, the dosing regimen and the size of iron stores. Subjects with normal iron stores absorb 10% to 35% of an iron dose. Those who are iron deficient may absorb up to 95% of an iron dose.",
"cid": "23925",
"classification": "B; A",
"indications": "Iron deficiency anaemia; Renal failure chronic",
"side_effects": "Arthralgia (0.077); Pharyngitis (0.067); Diarrhoea; Dizziness; Headache; Hypertension; Nausea; Oedema peripheral; Vomiting",
"atc_codes": "B03AE01; B03AB02; B03AE03; A11AA01; B03AE02; B03AE04",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0071",
"name": "Isoniazid",
"synonyms": "isoniazid; Isonicotinic acid hydrazide; 54-85-3; Isonicotinohydrazide; pyridine-4-carbohydrazide; Isoniazide; Rimifon; Isonicotinic hydrazide; Nydrazid; Laniazid; Isonicotinylhydrazine; Andrazide; Cotinazin; Dinacrin; Hydrazid; Neoteben; Nicizina; Nicotibina; Nicozide; Pycazide; Tubazide; Ditubin; Iscotin; Isolyn; Isonex; Mybasan; Niconyl; Hyzyd; Isonicotinhydrazid; Antimicina; Atcotibine; Chemiazid; Hidranizil; Hidrasonil; Hydrazide; Isobicina; Isocidene; Isohydrazide; Isonicotan; Isonicotil; Isonidrin; Isonikazid; Isonindon; Isonizide; Isotebezid; Neumandin; Pyricidin; Pyrizidin; Stanozide; Armazid; Armazide; Cemidon; Chemidon; Defonin; Diforin; Ebidene; Ertuban; Eutizon; Fimalene; Hidrulta; Hycozid; Idrazil; Isidrina; Ismazide; Isocotin; Isonerit; Isonicid; Isonico; Isonide; Isonilex; Isonirit; Isoniton; Isozide; Niadrin; Nicetal; Nidaton; Nidrazid; Nikozid; Nitadon; Nyscozid; Pelazid; Raumanon; Retozide; Rimicid; Rimitsid; Tubazid; Azuren; Cedin; Eralon; Evalon; Hidrun; Inizid; Isocid; Isonin; Isozyd; Neoxin; Nevin; Niplen; Antituberkulosum; Inah; Ido-tebin; Bacillin; Isoniacid; Isotinyl; Nicazide; Nicotibine; Nicotisan; Phthisen; Pyreazid; Rimiphone; Tubilysin; Isotebe; Percin; Razide; Tyvid; Isoniazid SA; Neo-Tizide; GINK; Armacide; Cortinazine; Cotinizin; Isonicazide; Isotamine; Robisellin; Sauterazid; Teebaconin; Tibinide; Unicozyde; Vazadrine; Zonazide; Dibutin; Hyozid; Isonicotinoyl hydrazide; Tebecid; Tekazin; Tubeco; Tubicon; Tubomel; Vederon; Zinadon; Preparation 6424; Isonicotinyl hydrazide; TB-Razide; 4-Pyridinecarboxylic acid, hydrazide; Sanohidrazina; Tisiodrazida; Laniozid; Niteban; Pyridicin; Robiselin; Roxifen; Sauterzid; Tebenic; Tebexin; Tebilon; Tibazide; Tibison; Tibivis; Tibizide; Tibusan; Tuberian; Tubizid; Unicocyde; Tebos; Tisin; Tizide; Dow-Isoniazid; FSR 3; TB-Vis; Inh-Burgthal; INH; TB-Phlogin; Zidafimia; Isokin; Isozid; Nitebannsc 9659; In-73; 4-Pyridinecarboxylic acid hydrazide; Cedin (Aerosol); RU-EF-Tb; bacillen; tebemid; tubercid; Isonicotinoylhydrazine; 4-Pyridinecarbonylhydrazine; Continazine; Abdizide; Anidrasona; Isonizida; Tibiazide; Fetefu; Hydra; BP 5015; FSR-3; Isonicotinsaeurehydrazid; 4-(Hydrazinocarbonyl)pyridine; 4-pyridinecarbohydrazide; 4-Pyridylcarbonylhydrazide; LANIZID; NSC 9659; 4-Pyridinecarboxylic hydrazide; RY-EF-Tb; HIA; RP-5015; Isoniazidum [INN-Latin]; Isoniazida [INN-Spanish]; UNII-V83O1VOZ8L; FRS-3; Isoniazid(Tubizid); C6H7N3O; CCRIS 351; Isonicotinylhydrazide; L 1945; isonicotinoylhydrazide; 5015 RP; CHEBI:6030; isonicotinate hydrazide; 5015 R.P.; HSDB 1647; Isonicotinsaeurehydrazid [German]; CHEMBL64; pyridine-4-carboxylic acid hydrazide; EINECS 200-214-6; MFCD00006426; RP 5015; V83O1VOZ8L; AI3-23936; Idrazide dell'acido isonicotinico [Italian]; MLS000069444; NSC9659; QRXWMOHMRWLFEY-UHFFFAOYSA-N; CAS-54-85-3; NCGC00016244-09; Isoniazidum; Tubecotubercid; Isoniazida; SMR000059082; Tibemid; DSSTox_CID_755; DSSTox_RID_75771; DSSTox_GSID_20755; Isonicotinic acid hydrazide, 99%; isoco tin; nidra zid; Hid rasonil; isozid e; rimif on; AZT + Isoniazid; Laniazid (TN); Usaf cb-2; INHd20; SR-01000003025; I.A.I; Isoniazid [INN:BAN:JAN]; Mayambutol; I.A.I.; isoniazid (inh); Idrazide dell'acido isonicotinico; Isoniazid [USP:INN:BAN:JAN]; isonicotinhydrazide; bp 5 015; Soniazid,(S); NIZ; Prestwick_578; Isoniazid (Tubizid); Rifater (Salt/Mix); Isonicotinic acid hydrazide (Isoniazid); Spectrum_000853; ACMC-209ljq; Opera_ID_454; isonicotinicacid hydrazide; isonicotinic acid hydrazid; Prestwick0_000161; Prestwick1_000161; Prestwick2_000161; Prestwick3_000161; Spectrum2_000107; Spectrum3_000472; Spectrum4_000022; Spectrum5_000876; I0138; WLN: T6NJ DVMZ; isonicotinic acid hydrazone; SCHEMBL228; Biomol-NT_000288; Epitope ID:141801; 4-Pyridylcarbonyl hydrazide; Oprea1_396155; BSPBio_000021; BSPBio_002204; Isoniazid daily for 9 months; KBioGR_000423; KBioSS_001333; MLS001055327; ARONIS25141; BIDD:GT0140; DivK1c_000070; SPECTRUM1500355; SPBio_000094; SPBio_001942; Isoniazid (JP17/USP/INN); BPBio1_000025; BPBio1_001322; SCHEMBL2998929; ZINC1590; component of Niadox (Salt/Mix); DTXSID8020755; HMS500D12; KBio1_000070; KBio2_001333; KBio2_003901; KBio2_006469; KBio3_001424; KS-00000JHE; NINDS_000070; HMS1568B03; HMS1920H09; HMS2089I16; HMS2091N19; HMS2095B03; HMS2234G04; HMS3259E19; HMS3373O01; HMS3655L03; HMS3712B03; KUC109571N; Pharmakon1600-01500355; 4-pyridinecarbohydrazide(Isoniazid); BCP13791; HY-B0329; NSC-9659; STR00210; [(4-Pyridinylcarbonyl)oxy]hydrazine; Tox21_113640; Tox21_201367; Tox21_300193; ANW-32196; BBL008409; BDBM50336507; CCG-39710; LS-205; NSC757078; s1937; SBB004195; STK086288; AKOS000119062; Isonicotinic acid hydrazide(Isoniazid); Tox21_113640_1; CS-2371; DB00951; KSC-27-048; MCULE-6324947959; NC00513; NSC-757078; PS-4129; RTR-019381; IDI1_000070; KS-0000471R; UPCMLD0ENAT5791176:001; NCGC00016244-01; NCGC00016244-02; NCGC00016244-03; NCGC00016244-04; NCGC00016244-05; NCGC00016244-06; NCGC00016244-07; NCGC00016244-08; NCGC00016244-10; NCGC00016244-11; NCGC00016244-12; NCGC00016244-14; NCGC00016244-15; NCGC00022648-03; NCGC00022648-04; NCGC00022648-05; NCGC00022648-06; NCGC00022648-07; NCGC00254094-01; NCGC00258919-01; 5015 R.P; AK-46317; CPD000059082; SAM002554904; SC-12623; ST078858; SY010614; Isoniazid, Vetec(TM) reagent grade, 98%; SBI-0051419.P003; AB1009474; TR-019381; AB00052025; BB 0240534; FT-0627424; ST24025094; SW196752-3; T7976; ISONICOTINIC ACID HYDRAZIDE(ISONIAZIDE); MFCD00006426 (97%); C07054; D00346; Isoniazid, analytical standard, >=99% (TLC); 10319-EP2272972A1; 10319-EP2272973A1; 10319-EP2274983A1; 10319-EP2275102A1; 10319-EP2275401A1; 10319-EP2277872A1; 10319-EP2280000A1; 10319-EP2280012A2; 10319-EP2281563A1; 10319-EP2289510A1; 10319-EP2289876A1; 10319-EP2295407A1; 10319-EP2295411A1; 10319-EP2295416A2; 10319-EP2295433A2; 10319-EP2298312A1; 10319-EP2298736A1; 10319-EP2298747A1; 10319-EP2298748A2; 10319-EP2301536A1; 10319-EP2301538A1; 10319-EP2301924A1; 10319-EP2305640A2; 10319-EP2305642A2; 10319-EP2305808A1; 10319-EP2308852A1; 10319-EP2311455A1; 10319-EP2311824A1; 10319-EP2311830A1; 10319-EP2314584A1; 10319-EP2316452A1; 10319-EP2316459A1; 10319-EP2380872A1; 40687-EP2298761A1; 40687-EP2311830A1; AB00052025-20; AB00052025-21; AB00052025_22; AB00052025_23; AB00052025_24; AB00052025_25; 101033-EP2272832A1; 101033-EP2272972A1; 101033-EP2272973A1; 101033-EP2277872A1; 101033-EP2295053A1; 101033-EP2298776A1; 101033-EP2301544A1; AE-641/02310003; Q423169; SR-01000003025-2; SR-01000003025-3; BRD-K87202646-001-26-8; Isoniazid, certified reference material, TraceCERT(R); Z58981801; F0391-0007; INH; Isonicotinic acid hydrazide; Isonicotinic hydrazide; Isoniazid, European Pharmacopoeia (EP) Reference Standard; Isoniazid, United States Pharmacopeia (USP) Reference Standard; InChI=1/C6H7N3O/c7-9-6(10)5-1-3-8-4-2-5/h1-4H,7H2,(H,9,10; Isoniazid, Pharmaceutical??Secondary??Standard;??Certified??Reference??Material",
"trade_name": "Hydra, Hyzyd, Isovit",
"abbrev_name": "INH",
"description": "antibiotic for the treatment of tuberculosis",
"molecular_formula": "C6H7N3O",
"molecular_weight": "137.14",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "From 50 to 70 percent of a dose of isoniazid is excreted in the urine within 24 hours.",
"protein_binding": "Very low (0-10%)",
"half_life": "Fast acetylators: 0.5 to 1.6 hours. Slow acetylators: 2 to 5 hours.",
"absorption": "Readily absorbed following oral administration; however, may undergo significant first pass metabolism. Absorption and bioavailability are reduced when isoniazid is administered with food.",
"cid": "3767",
"classification": "J",
"indications": "Diabetes mellitus; Extrapulmonary tuberculosis; Hodgkin's disease; Hodgkin's disease lymphocyte depletion type stage unspecified; Hodgkin's disease lymphocyte predominance type stage unspecified; Immunodeficiency; Induration; Infection; Leukaemia; Low income; Malabsorption; Malnutrition; Neoplasm malignant; Peptic ulcer; Renal failure chronic; Silicosis; Skin test positive; Ulcer; Weight decreased",
"side_effects": "",
"atc_codes": "J04AM01; J04AM08; J04AM07; J04AM05; J04AM04; J04AM02; J04AC01; J04AM03; J04AM06; J04AC51",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T002",
"T408"
],
"function": [
"F0108",
"F0109",
"F0201",
"F0303"
],
"references": [
"RC03797",
"RC04077",
"RC04201",
"RC04325",
"RC04449",
"RC04573"
]
},
{
"compound_ID": "D0072",
"name": "Ketamine",
"synonyms": "ketamine; Ketaject; Ketalar; dl-Ketamine; Ketaminum; CI 581 base; Special K; (+-)-Ketamine; CLSTA 20; Ketanest; Ketalar base; 6740-88-1; (+/-)-Ketamine; KETAMINE HCL; Ketamine [INN:BAN]; Ketaminum [INN-Latin]; 2-(2-Chlorophenyl)-2-(methylamino)cyclohexanone; 2-(Methylamino)-2-(2-chlorophenyl)cyclohexanone; Cetamina [INN-Spanish]; Special K [street name]; 2-(o-Chlorophenyl)-2-(methylamino)-cyclohexanone; ketamina; NSC 70151; EINECS 229-804-1; CHEMBL742; BRN 2216965; CHEBI:6121; YQEZLKZALYSWHR-UHFFFAOYSA-N; 2-(2-Chloro-phenyl)-2-methylamino-cyclohexanone; 2-(o-Chlorophenyl)-2-(methylamino)cyclohexanone; Cyclohexanone, 2-(o-chlorophenyl)-2-(methylamino)-; 100477-72-3; DEA No. 7285; HSDB 2180; NCGC00159480-02; NCGC00159480-03; Calypsol; Cetamina; Cyclohexanone, 2-(o-chlorophenyl)-2-(methylamino)-, (+-)-; Ketamine Base; DSSTox_CID_3187; CI-581; DSSTox_RID_76912; DSSTox_GSID_23187; Ketoject; Ketamine (INN); CAS-6740-88-1; Tekam (TN); (+/-)-2-(o-Chlorophenyl)-2-(methylamino)cyclohexanone; 2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one; Ketolar (Salt/Mix); Vetalar (Salt/Mix); Kalipsol (Salt/Mix); Ketanest (Salt/Mix); (.+/-.)-Ketamine; EC 229-804-1; Cyclohexanone, (.+-.)-; SCHEMBL16103; MLS001331674; DivK1c_000217; cyclohexanone, 2-(2-chlorophenyl)-2-(methylamino)-; GTPL4233; (+/-)-2-(2-Chlorophenyl)-2-(methylamino)cyclohexanone; DTXSID8023187; SCHEMBL17084881; KBio1_000217; NINDS_000217; Cyclohexanone, 2-(2-chlorophenyl)-2-(methylamino)-, (+-)-; HMS2272G05; NSC70151; Tox21_111703; Tox21_111704; BDBM50044140; NSC-70151; API0005228; DB01221; MCULE-4905246871; IDI1_000217; LS-57301; SMR000238141; C07525; D08098; Q243547; 2-(2-Chlorophenyl)-2-(methylamino)cyclohexanone #; J-505587; (.+/-.)-2-(O-Chlorophenyl)-2-(methylamino)cyclohexanone; 2-(2-Chloro-phenyl)-2-methylamino-cyclohexanone(Ketamine); Cyclohexanone, 2-(2-chlorophenyl)-2-(methylamino)- (9CI); Cyclohexanone, 2-(2-chlorophenyl)-2-(methylamino)-, (+/-)-; Cyclohexanone, 2-(2-chlorophenyl)-2-(methylamino)-, (+-)- (9CI); Cyclohexanone, 2-(2-chlorophenyl)-2-(methylamino)-, (.+/-.)-; Cyclohexanone, 2-(o-chlorophenyl)-2-(methylamino)-, (.+/-.)-; Cyclohexanone, 2-(o-chlorophenyl)-2-(methylamino)-, (+/-)- (8CI)",
"trade_name": "Ketalar",
"abbrev_name": "",
"description": "General anesthetics",
"molecular_formula": "C13H16ClNO",
"molecular_weight": "237.72",
"state": "solid",
"clearance": "The clearance rate of ketamine is high and of around 95 L/h/70kg.[A31885]",
"volume_of_distribution": "The apparent volume of distribution of the central compartment and at steady-state are 371.3 ml/kg and 4060.3 ml/kg, respectively.[A31889]",
"route_of_elimination": "Pharmacokinetic studies have resulted in the recovery of 85-95% of the administered dose in urine mainly in the form of metabolites. Some other routes of elimination of ketamine are bile and feces. When administered intravenously the resultant recovery is distributed by 91% of the administered dose in urine and 3% in feces.[L1336]",
"protein_binding": "The plasma protein binding of ketamine accounts for 53.5% of the administered dose.[A31887]",
"half_life": "The reported half-life in preclinical studies for ketamine is 186 min.[A31883]",
"absorption": "Ketamine absorption is very rapid and the bioavailability is around 93%. After the first pass metabolism, only 17% of the administered dose is absorbed.[A31883] It distributes very rapidly and presents a distribution half-life of 1.95 min.[A31887] The Cmax levels at peak reach 0.75 mcg/ml in plasma and 0.2 mcg/ml in cerebrospinal fluid.[L1336]",
"cid": "3821",
"classification": "N",
"indications": "Glaucoma; Hypotonia; Visceral pain",
"side_effects": "",
"atc_codes": "N01AX03",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0504"
],
"references": [
"RC03642"
]
},
{
"compound_ID": "D0073",
"name": "Ketoconazole",
"synonyms": "ketoconazole; Ketoconazol; Nizoral; 79156-75-5; 1-[4-[4-[[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone; 65277-42-1; NSC317629; Ketoconazolum; CHEBI:48339; R-41400; 1-[4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]ethanone; fungarest;fungoral; SCHEMBL8408; Oprea1_683648; US8987315, Ketoconazole; CHEMBL157101; GTPL2568; SCHEMBL18258319; CTK5E6507; DTXSID20273956; BDBM151585; HMS3267K04; Piperazine, (+/-)-1-acetyl-4-(4-(((2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-, rel-; STL481884; AKOS015918262; DB01026; KW 1414; MCULE-7223272511; NSC-317629; NCI60_002728; DB-054790; FT-0627575; FT-0656627; ST51039034; A19432; 29521-EP2272972A1; 29521-EP2272973A1; 29521-EP2277872A1; 29521-EP2281816A1; 29521-EP2311842A2; Q407883; BRD-A76019558-001-01-0; 1-(4-(4-((2-((1H-Imidazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazin-1-yl)ethanone; 1-[4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]ethan-1-one; 1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine; 1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(imidazolylmethyl)(1,3-dioxolan-4-yl) ]methoxy}phenyl)piperazine; 1-acetyl-4-[4-[[2-(2,4-dichlorophenyl)-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]-methoxy] phenyl]piperazine; 2-(2,4-Dichlorophenyl)-2-[(1H-imidazole-1-yl)methyl]-4-[[4-(4-acetyl-1-piperazinyl)phenoxy]methyl]-1,3-dioxolane; Ethanone,1-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]-",
"trade_name": "",
"abbrev_name": "",
"description": "a synthetic imidazole based antifungal drug; pan-inhibitor of the PXR nuclear receptor in xenobiotic metabolism (Cyp3A4) in vivo",
"molecular_formula": "C26H28Cl2N4O4",
"molecular_weight": "531.4",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "99% (in vitro, plasma protein binding)",
"half_life": "2 hours",
"absorption": "Moderate",
"cid": "3823",
"classification": "G; J; D",
"indications": "Blastomycosis; Body tinea; Candiduria; Chromoblastomycosis; Coccidioidomycosis; Dandruff; Fungal infection; Histoplasmosis; Infection; Meningitis fungal; Mucocutaneous candidiasis; Oral candidiasis; Paracoccidioides infection; Pityriasis; Skin candida; Tinea cruris; Tinea infection; Tinea pedis; Tinea versicolour",
"side_effects": "Application site burn; Application site pain; Application site reaction",
"atc_codes": "G01AF11; J02AB02; G01AF20; D01AC08",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T002",
"T408"
],
"function": [
"F0105",
"F0108",
"F0201",
"F02010103",
"F020103",
"F0303"
],
"references": [
"RC00932",
"RC00985",
"RC00987",
"RC01984",
"RC02605",
"RC03226",
"RC03955",
"RC03956",
"RC04078",
"RC04202",
"RC04326",
"RC04450",
"RC04574"
]
},
{
"compound_ID": "D0074",
"name": "Ketoprofen",
"synonyms": "ketoprofen; 22071-15-4; 2-(3-Benzoylphenyl)propanoic acid; Orudis; 2-(3-Benzoylphenyl)propionic acid; Ketoprofene; m-Benzoylhydratropic acid; Profenid; Oruvail; 3-Benzoylhydratropic acid; Alrheumat; Alrheumun; Capisten; Epatec; Actron; Aneol; Orudis (TN); Orudis KT; Ketoprofeno; Ketoprophene; RP-19583; racemic-Ketoprofen; 2-[3-(phenylcarbonyl)phenyl]propanoic acid; RP 19583; 2-(m-Benzoylphenyl)propionic acid; Ketoprofene [INN-French]; Ketoprofenum [INN-Latin]; Racemic ketoprofen; Ketoprofeno [INN-Spanish]; 3-BENZOYL-ALPHA-METHYLBENZENEACETIC ACID; Ketoprofen (+-); RU 4733; Ketoprofen (Actron); CHEBI:6128; (+-)-m-Benzoylhydratropic acid; Benzeneacetic acid, 3-benzoyl-alpha-methyl-; Benzeneacetic acid, 3-benzoyl-.alpha.-methyl-; CHEMBL571; Propionic acid, 2-(3-benzoylphenyl)-; 19583 RP; L'Acide (benzoyl-3-phenyl)-2-propionique; MLS000079024; CCRIS 4508; (+-)-3-Benzoyl-alpha-methylbenzeneacetic acid; DKYWVDODHFEZIM-UHFFFAOYSA-N; Acide (benzoyl-3-phenyl)-2-propionique [French]; EINECS 244-759-8; Hydratropic acid, m-benzoyl-, (+-)-; Alrheumum; Kefenid; Ketopron; Menamin; Meprofen; Orugesic; Oscorel; SMR000040181; Fastum; Lertus; Toprec; Toprek; Dexal; DSSTox_CID_771; DSSTox_RID_75783; DSSTox_GSID_20771; 22161-86-0; Iso-K; Benzeneacetic acid, 3-benzoyl-alpha-methyl-, (+-)-; Benzoylhydratropic Acid; Ketoprofenum; SR-01000075949; (+) ketoprofen; Ketoprofen [USAN:INN:BAN:JAN]; Ketoprofen(Actron); NCGC00016757-01; Ketoprofen ,(S); Prestwick_617; 2-[3-(benzoyl)phenyl]propanoic acid; CAS-22071-15-4; 2-(3-benzoylphenyl)-propionic acid; Acide (benzoyl-3-phenyl)-2-propionique; Spectrum_001309; Opera_ID_509; 19,583 RP; Prestwick0_000219; Prestwick1_000219; Prestwick2_000219; Prestwick3_000219; Spectrum2_000956; Spectrum3_001479; Spectrum4_000028; Spectrum5_001254; m-benzoyl-hydratropic acid; Epitope ID:131783; K 1751; SCHEMBL2896; Lopac0_000686; Oprea1_117113; BSPBio_000237; BSPBio_003037; KBioGR_000435; KBioSS_001789; MLS000028446; MLS001201752; MLS001306444; MLS002548889; MLS006011967; BIDD:GT0443; DivK1c_000598; SPECTRUM1501215; SPBio_000952; SPBio_002158; BPBio1_000261; GTPL4795; Ketoprofen (JP17/USP/INN); Ketoprofen, >=98% (TLC); DTXSID6020771; CTK8F2159; DKYWVDODHFEZIM-UHFFFAOYSA-; HMS501N20; KBio1_000598; KBio2_001789; KBio2_004357; KBio2_006925; KBio3_002537; KS-00000GGJ; (+/-)-m-Benzoylhydratropic acid; NINDS_000598; HMS1568L19; HMS1921B12; HMS2089B16; HMS2092L19; HMS2095L19; HMS2234H16; HMS3259I05; HMS3262I13; HMS3372M08; HMS3373G09; HMS3649N10; HMS3655C15; HMS3712L19; Pharmakon1600-01501215; BCP23428; HY-B0227; 2-(3'-benzoylphenyl)propionic acid; 2-(3-benzoylphenyl) propionic acid; alpha(3-benzoylphenyl)propionic acid; Tox21_110594; Tox21_200847; Tox21_500686; (.+/-.)-m-Benzoylhydratropic acid; 2-(3-benzoylphenyl) propionoic acid; alpha-(m-benzoylphenyl)propionic acid; BDBM50022271; CCG-39685; MFCD00055790; NSC758144; s1645; SBB063946; STL450995; 2-(3-Benzoylphenyl)propanoic acid #; alpha-(3-benzoylphenyl)propionic acid; AKOS007930512; alpha-(m-benzoylphenyl) propionic acid; Tox21_110594_1; AC-1486; BCP9000810; CS-2175; DB01009; Ketoprofen [USAN:USP:INN:BAN:JAN]; KS-5031; LP00686; LS-7470; MCULE-9740144074; NC00459; NSC-758144; IDI1_000598; TRA-0188004; (rs)-2-(3-benzoylphenyl)propanoic acid; Benzeneacetic acid, 3-benzoyl-?-methyl-; NCGC00015578-02; NCGC00015578-03; NCGC00015578-04; NCGC00015578-05; NCGC00015578-07; NCGC00015578-08; NCGC00015578-10; NCGC00015578-12; NCGC00094043-01; NCGC00094043-02; NCGC00094043-03; NCGC00094043-04; NCGC00258401-01; NCGC00261371-01; (2R)-2-(3-benzoylphenyl)propanoic acid; AK-47496; BR-47496; CPD000040181; LS-28621; Orudis;Oruvail;Ketoflam;Orudis KT;Actron; SAM002264620; SC-17621; 3-Benzoyl-.alpha.-methylbenzeneacetic acid; BCP0726000302; SBI-0050664.P003; (+/-)-2-(3-Benzoylphenyl)propionic acid; AB2000190; L''Acide (benzoyl-3-phenyl)-2-propionique; ST2409293; UNM-0000306100; AB00052249; AM20060549; EU-0100686; FT-0082352; FT-0602834; K0038; Ketoprofen, meets USP testing specifications; Orudis, Profenid, Dexal, Keduril, Ketofen,; R.P. 19583; SW196784-3; R.P. 19,583; BIM-0050664.0001; C01716; D00132; Ketoprofen, VETRANAL(TM), analytical standard; M-7468; AB00052249-17; AB00052249-19; AB00052249-20; AB00052249_21; AB00052249_22; 071K154; A815896; Q409192; Q-201268; SR-01000075949-1; SR-01000075949-6; SR-01000075949-9; (.+/-.)-3-Benzoyl-.alpha.-methylbenzeneacetic acid; Benzeneacetic acid, 3-benzoyl-alpha-methyl-, (+/-); BRD-A97739905-001-05-9; BRD-A97739905-001-15-8; SR-01000075949-18; F2173-0960; Z1695709452; Ketoprofen, British Pharmacopoeia (BP) Reference Standard; Ketoprofen, European Pharmacopoeia (EP) Reference Standard; Ketoprofen, United States Pharmacopeia (USP) Reference Standard; Ketoprofen, Pharmaceutical Secondary Standard; Certified Reference Material; InChI=1/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C16H14O3",
"molecular_weight": "254.28",
"state": "solid",
"clearance": "* Oral-dose cl=6.9 +/- 0.8 L/h [Ketoprofen Immediate-release capsules (4 × 50 mg)]\n* Oral-dose cl=6.8 +/- 1.8 L/h [Ketoprofen Extended-release capsules (1 × 200 mg)]\n* 0.08 L/kg/h\n* 0.7 L/kg/h [alcoholic cirrhosis patients]",
"volume_of_distribution": "",
"route_of_elimination": "In a 24 hour period, approximately 80% of an administered dose of ketoprofen is excreted in the urine, primarily as the glucuronide metabolite.",
"protein_binding": "99% bound, primarily to albumin",
"half_life": "Conventional capsules: 1.1-4 hours\n<p>Extended release capsules: 5.4 hours due to delayed absorption (intrinsic clearance is same as conventional capsules)</p>",
"absorption": "Ketoprofen is rapidly and well-absorbed orally, with peak plasma levels occurring within 0.5 to 2 hours.",
"cid": "3825",
"classification": "M",
"indications": "Ankylosing spondylitis; Arthralgia; Arthritis; Back pain; Bursitis; Contusion; Fibromyalgia; Gout; Inflammation; Ligament sprain; Musculoskeletal discomfort; Osteoarthritis; Pain; Periarthritis; Post-traumatic pain; Procedural pain; Rheumatoid arthritis; Sciatica; Spinal osteoarthritis; Spondylitis; Sports injury; Swelling; Synovitis; Tendonitis",
"side_effects": "Dyspepsia",
"atc_codes": "M01AE03; M01AE53; M02AA10",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0075",
"name": "Lamivudine",
"synonyms": "lamivudine; 134678-17-4; Epivir; Zeffix; Heptovir; Epivir-HBV; Hepitec; Heptodin; BCH-189; 3TC; (-)-2'-Deoxy-3'-thiacytidine; 2',3'-Dideoxy-3'-thiacytidine; GR109714X; GR-109714X; 3'-Thia-2',3'-dideoxycytidine; 4-amino-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)pyrimidin-2(1H)-one; (-)-BCH-189; CIS-LAMIVUDINE; beta-L-2',3'-Dideoxy-3'-thiacytidine; beta-L-3'-Thia-2',3'-dideoxycytidine; (-)NGPB-21; (-)-BCH 189; 136891-12-8; UNII-2T8Q726O95; HSDB 7155; GR 109714X; 4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2(1H)-one; 4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one; BCH 189, (-)-; C8H11N3O3S; CHEBI:63577; (-)-1-((2R,5S)-2-(Hydroxymethyl)-1,3-oxathiolan-5-yl)cytosine; (-)-1-[(2R,5S)-2-(Hydroxymethyl)-1,3-oxathiolan-5-yl]cytosine; 4-Amino-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-2(1H)-pyrimidinone; 2T8Q726O95; CPD000466319; Heptivir; Lamivir; Zefix; 2(1H)-Pyrimidinone, 4-amino-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-, (2R-cis)-; BCH 189; Lamivudine [USAN:BAN:INN]; (-)-(2'R,5'S)-1-[2'-Hydroxymethyl-5'-(1,3-oxathiolanyl)]cytosine; 2(1H)-Pyrimidinone, 4-amino-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-; 4-AMINO-1-[(2R,5S)-2-(HYDROXYMETHYL)-1,3-OXATHIOLAN-5-YL]-2(1H)-PYRIMIDINONE; Epivir(TM); HHA & Lamivudine; Lamivudine & GNA; SMR000466319; Lamivudine [USAN:INN:BAN]; Epivir (TN); DTHC; CHEMBL141; DRG-0126; 3TC and NV-01; (-)-SddC; Lamivudina; Lamivudinum; Lamivudin; Lamivudine (JAN/USP/INN); 3TC & GNA; 3TC & SST; HHA & 3TC; (+/-)-SddC; CCRIS 9274; NSC620753; 2(1H)-Pyrimidinone, 4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-; BCH-790; Lamivudine [USAN:USP:INN:BAN]; Lamivudine(Epivir); NCGC00159341-04; Lamivudine, 98%; GG-714; Lamivudine (EPIVIR); (+/-)-3TC; (+/-)-BCH-189; 3TC (AIDS INITIATIVE) (AIDS INITIATIVE); MLS000759424; MLS001424097; MLS006011910; BIDD:GT0033; SCHEMBL109675; PYR356; CTK3J2124; ZINC12346; JTEGQNOMFQHVDC-NKWVEPMBSA-N; HMS2051D21; HMS3259F08; HMS3713C16; 480434-79-5; HY-B0250; ANW-43098; BBL033871; BDBM50366817; MFCD00869739; s1706; SBB066293; STK801940; lamivudine & TNF-alpha & IFN-gamma; AKOS005622556; AKOS015854841; Lamivudine, >=98% (HPLC), powder; AB07588; AC-1416; CCG-100984; CS-2230; DB00709; KS-1073; LS-2107; MCULE-2096184994; NC00234; NC00705; RTC-020973; (2R,cis)-4-amino-1-(2-hydroxymethyl-1,3-oxathiolan-5-yl)-(1H)-pyrimidin-2-one; KS-0000023D; NCGC00159341-05; 4-AMINO-1-[(2R,5S)-2-(HYDROXYMETHYL)-1,3-OXATHIOLAN-5-YL]-1,2-DIHYDROPYRIMIDIN-2-ONE; LMV; SAM001246582; SAM002589994; SC-15184; FT-0082667; FT-0601626; FT-0650554; L0217; ST24030826; SW197614-3; C07065; D00353; J10244; M-9795; 24222-EP2269989A1; 24222-EP2272516A2; 24222-EP2272825A2; 24222-EP2292227A2; 24222-EP2298761A1; 24222-EP2298783A1; 24222-EP2305243A1; 24222-EP2305640A2; 24222-EP2305680A2; 24222-EP2314590A1; AB00639995-06; AB00639995-08; AB00639995_09; 200973-EP2272825A2; 678L174; Q422631; SR-01000759420; J-700183; Q-201275; SR-01000759420-5; Lamivudine, British Pharmacopoeia (BP) Reference Standard; Lamivudine, European Pharmacopoeia (EP) Reference Standard; (2R,5S)-1-[2-(Hydroxymethyl)-1,3-oxathiolan-5-yl]cytosine; .beta.-L-(-)-2',3'-dideoxy-3'-thiacytidine & Sho-Saiko-To; Lamivudine, United States Pharmacopeia (USP) Reference Standard; (+/-) (Cis)-1-[2-(Hydroxymethyl)-1,3-oxathiolan-5-yl]cytosine; (-)-L-2',3'-DIDEOXY-3'-THIACYTIDINE; LAMIVUDINE; EPIVIR; Lamivudine, 1.0 mg/mL in methanol, certified reference material; Lamivudine, Pharmaceutical Secondary Standard; Certified Reference Material; (+/-)-(cis)-4-Amino-1-(2-hydroxymethyl-1,3-oxathiolan-5-yl)-(1H)-pyrimidin-2-one; 2(1H)-Pyrimidinone, 4-amino-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl], (+/-) (Cis); 3-[(5S,2R)-2-(hydroxymethyl)(1,3-oxathiolan-5-yl)]-6-amino-3-hydropyrimidin-2- one; 4-amino-1-[(2R,5S)-2-(hydroxymethyl)-[1,3]-oxathiolan-5-yl]-(1H)-pyrimidin-2-one; 4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-Oxathiolan-5-yl]-(1H)-pyrimidin-2-one; cis(+/-)-4-amino-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2(1H)-pyrimidinone; Lamivudine for system suitability 1, European Pharmacopoeia (EP) Reference Standard; Lamivudine for system suitability 2, European Pharmacopoeia (EP) Reference Standard; 2(1H)-Pyrimidinone, 4-amino-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl], (-)(2R,5S) & Galanthus Nivalis Agglutinin (GNA); 2(1H)-Pyrimidinone, 4-amino-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl], (-)(2R,5S) & Hippeastrum hybrid agglutinin( HHA)",
"trade_name": "Epivir",
"abbrev_name": "3TC, 2',3'-dideoxy-3'-thiacytidine",
"description": "Antiviral; analogue of cytidine",
"molecular_formula": "C8H11N3O3S",
"molecular_weight": "229.26",
"state": "solid",
"clearance": "* Renal clearance = 199.7 ± 56.9 mL/min [300 mg oral dose, healthy subjects] \n* Renal clearance = 280.4 ± 75.2 mL/min [single IV dose, HIV-1-infected patients]\n* Total clearance = 398.5 ± 69.1 mL/min [HIV-1-infected patients]",
"volume_of_distribution": "Apparent volume of distribution, IV administration = 1.3 ± 0.4 L/kg. Volume of distribution was independent of dose and did not correlate with body weight.",
"route_of_elimination": "The majority of lamivudine is eliminated unchanged in urine by active organic cationic secretion. 5.2% ± 1.4% (mean ± SD) of the dose was excreted as the trans-sulfoxide metabolite in the urine. Lamivudine is excreted in human breast milk and into the milk of lactating rats.",
"protein_binding": "<36% bound to plasma protein.",
"half_life": "5 to 7 hours (healthy or HBV-infected patients)",
"absorption": "Lamivudine was rapidly absorbed after oral administration in HIV-infected patients. Absolute bioavailability in 12 adult patients was 86% ± 16% (mean ± SD) for the 150-mg tablet and 87% ± 13% for the oral solution. The peak serum lamivudine concentration (Cmax) was 1.5 ± 0.5 mcg/mL when an oral dose of 2 mg/kg twice a day was given to HIV-1 patients. When given with food, absorption is slower, compared to the fasted state.",
"cid": "60825",
"classification": "J",
"indications": "Alanine aminotransferase increased; Chronic hepatitis B; Fibrosis; Foetor hepaticus; Hepatic failure; Hepatitis B; Hepatitis B DNA decreased; Hepatitis B e antigen positive; Hepatitis B surface antigen positive; Hepatitis C; Hepatitis chronic active; Hepatitis D; Hepatitis viral; Hepatocellular injury; Immunodeficiency; Infection; Inflammation; Liver disorder; Pancreatitis; Pathogen resistance; Viral infection",
"side_effects": "Abdominal distension (0.03); Pruritus (0.01); Abdominal discomfort; Abdominal pain; Acne; Anaemia; Asthenia; Blood creatine phosphokinase increased; Body temperature increased; Breath sounds abnormal; Bronchitis; Cough; Decreased appetite; Dermatitis; Diarrhoea; Discomfort; Dizziness; Dyspepsia; Fatigue; Feeling abnormal; Folliculitis; Fungal skin infection; Gastrointestinal infection; Gastrointestinal pain; Headache; Hepatomegaly; Hyperhidrosis; Ill-defined disorder; Infection; Inflammation; Liver function test abnormal; Lymphadenopathy; Malaise; Musculoskeletal discomfort; Musculoskeletal pain; Myalgia; Nasopharyngitis; Nausea; Neuropathy peripheral; Neutropenia; Oropharyngeal discomfort; Oropharyngeal pain; Pain; Pharyngitis; Rash; Respiration abnormal; Respiratory disorder; Respiratory tract infection; Rhinorrhoea; Sinusitis; Sleep disorder; Splenomegaly; Stomatitis; Thrombocytopenia; Viral infection; Viral skin infection; Vomiting; Wheezing",
"atc_codes": "J05AR24; J05AR16; J05AR12; J05AF05; J05AR13; J05AR04; J05AR02; J05AR07; J05AR01; J05AR05; J05AR11",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T002",
"T234",
"T408"
],
"function": [
"F0108",
"F0201",
"F0303",
"F060102"
],
"references": [
"RC03677",
"RC04079",
"RC04203",
"RC04327",
"RC04451",
"RC04575"
]
},
{
"compound_ID": "D0076",
"name": "Lidocaine",
"synonyms": "lidocaine; 137-58-6; Lignocaine; Xylocaine; 2-(Diethylamino)-N-(2,6-dimethylphenyl)acetamide; Lidoderm; Anestacon; Esracaine; Duncaine; Alphacaine; Cappicaine; Gravocain; Isicaina; L-Caine; Leostesin; Maricaine; Xylocain; Xylocitin; Solcain; Isicaine; Xylestesin; Rucaina; Xilina; Xycaine; Xylotox; Cito optadren; Lida-Mantle; Dalcaine; 2-(Diethylamino)-2',6'-acetoxylidide; Xyloneural (free base); Cuivasil; Dentipatch; Jetocaine; Lignocainum; Octocaine; Remicaine; Xilocaina; Xllina; 2-Diethylamino-N-(2,6-dimethylphenyl)acetamide; Lidocaine (VAN); Diethylaminoaceto-2,6-xylidide; ELA-Max; Xilocaina [Italian]; Acetamide, 2-(diethylamino)-N-(2,6-dimethylphenyl)-; alpha-Diethylamino-2,6-dimethylacetanilide; Lidocainum [INN-Latin]; Lidocaina [INN-Spanish]; EMBOLEX; 2',6'-Acetoxylidide, 2-(diethylamino)-; Lidocaton; alfa-Dietilamino-2,6-dimetilacetanilide; CHEBI:6456; HSDB 3350; UNII-98PI200987; Xylocaine (TN); CHEMBL79; EINECS 205-302-8; NSC 40030; LIDOPEN; alfa-Dietilamino-2,6-dimetilacetanilide [Italian]; BRN 2215784; C14H22N2O; MLS000069724; NNJVILVZKWQKPM-UHFFFAOYSA-N; N-(2,6-dimethylphenyl)-N(2),N(2)-diethylglycinamide; N-(2,6-dimethylphenyl)-N~2~,N~2~-diethylglycinamide; .alpha.-Diethylaminoaceto-2,6-xylidide; NCGC00015611-10; Xylesthesin; Dilocaine; Lidocaina; Lidocaine, 97.5%; Lidocainum; SMR000058189; .alpha.-(Diethylamino)-2,6-acetoxylidide; .alpha.-Diethylamino-2,6-dimethylacetanilide; .omega.-Diethylamino-2,6-dimethylacetanilide; 2-(Diethylamino)-N-(2,6-dimethylphenyl)-acetamide; 98PI200987; DSSTox_CID_25166; DSSTox_RID_80716; DSSTox_GSID_45166; N-(2,6-Dimethylphenyl)-N2,N2-diethylglycinamide; 2-(Diethylamino)-N-(2,6-Dimethylphenyl)ethanamide; Lidocaine Hydrocarbonate; Versatis; Ztilido; Lidocaine Base; ZTlido; Lidocaine Monohydrochloride; Xylocaine CO2; Dentipatch (TN); CAS-137-58-6; LQZ; Lidocaine [USAN:INN:JAN]; Qualigens; Xyline; Lignocaine base; LidocaineHClH2O; Lidocaine [USP:INN:BAN:JAN]; Lidocaine, powder; 2-Diethylamino-N-(2,6-dimethyl-phenyl)-acetamide; Zingo (Salt/Mix); MFCD00026733; Lidocaine(Alphacaine); CDS1_000283; Lidocaine (Alphacaine); Spectrum_001118; Lidothesin (Salt/Mix); Xyloneural (Salt/Mix); Opera_ID_385; Maybridge1_002571; Prestwick0_000050; Prestwick1_000050; Prestwick2_000050; Prestwick3_000050; Spectrum2_001343; Spectrum3_001392; Spectrum4_000070; Spectrum5_001549; Lopac-L-5647; Lidaform HC (Salt/Mix); Epitope ID:116205; Lidamantle HC (Salt/Mix); 2', 2-(diethylamino)-; Neosporin Plus (Salt/Mix); Lopac0_000669; SCHEMBL15689; BSPBio_000179; BSPBio_001359; BSPBio_003004; KBioGR_000079; KBioGR_000599; KBioSS_000079; KBioSS_001598; 4-12-00-02538 (Beilstein Handbook Reference); MLS000758263; MLS001074177; MLS001423964; N1-(2,6-dimethylphenyl)-N2,N2-diethylglycinamide; ARONIS23855; BIDD:GT0342; Diethylaminoacet-2,6-xylidide; DivK1c_000174; DivK1c_001323; Lidocaine, analytical standard; Alphacaine;Xylocaine;lignocaine; SPBio_001525; SPBio_002100; Lidocaine (JP17/USP/INN); BPBio1_000197; GTPL2623; DTXSID1045166; SCHEMBL17967359; CTK3J2126; HMS548M19; KBio1_000174; KBio2_000079; KBio2_001598; KBio2_002647; KBio2_004166; KBio2_005215; KBio2_006734; KBio3_000157; KBio3_000158; KBio3_002224; ZINC20237; Lidocaine 1.0 mg/ml in Methanol; NINDS_000174; Bio1_000379; Bio1_000868; Bio1_001357; Bio2_000079; Bio2_000559; HMS1791D21; HMS1989D21; HMS2051C21; HMS2089E15; HMS2235O14; HMS3371J04; HMS3393C21; HMS3428O07; HMS3651G09; BCP09081; HY-B0185; KS-000046GY; NSC40030; Tox21_110183; ANW-42187; BBL005525; BDBM50017662; LS-805; NSC-40030; s1357; SBB080556; STK552033; AKOS001026768; Tox21_110183_1; CCG-100824; CS-2070; DB00281; MCULE-9294700940; NC00074; RTR-031283; SB19118; WLN: 2N2 & 1VMR B1 F1; .alpha.-Diethylamino-2,6-acetoxylidide; CAS-73-78-9; IDI1_000174; IDI1_033829; NCGC00015611-01; NCGC00015611-02; NCGC00015611-03; NCGC00015611-04; NCGC00015611-05; NCGC00015611-06; NCGC00015611-07; NCGC00015611-08; NCGC00015611-09; NCGC00015611-11; NCGC00015611-12; NCGC00015611-13; NCGC00015611-14; NCGC00015611-15; NCGC00015611-16; NCGC00015611-18; NCGC00022176-05; NCGC00022176-06; NCGC00022176-07; NCGC00022176-08; NCGC00022176-09; AC-10282; AS-13718; CPD000058189; M620; SAM001247018; SC-19460; ST023341; 2-(Diethylamino)-2'',6''-acetoxylidide; SBI-0050648.P004; AB2000065; Lignocaine base 100 microg/mL in Methanol; TR-031283; AB00053581; FT-0082378; FT-0600570; L0156; SW196598-4; A18187; C07073; D00358; J10173; K-4450; AB00053581-27; AB00053581-28; AB00053581_29; AB00053581_30; Q216935; (2,6-dimethylphenyl)carbamoylmethyl-diethyl-azanium; N1-(2,6-dimethylphenyl)-2-(diethylamino)acetamide; W-108233; 2-(Diethylamino)-N-(2,6-dimethylphenyl)acetamide #; BRD-K52662033-001-02-6; BRD-K52662033-003-05-5; BRD-K52662033-003-14-7; Z55135799; Lidocaine, British Pharmacopoeia (BP) Reference Standard; Lidocaine, European Pharmacopoeia (EP) Reference Standard; N~1~-(2,6-dimethylphenyl)-N~2~,N~2~-diethylglycinamide; Lidocaine, United States Pharmacopeia (USP) Reference Standard; Lidocaine, Pharmaceutical Secondary Standard; Certified Reference Material; Lidocaine solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material; 91484-71-8; LIDOCAINE (73-58-6 (MONOHYDROCHLORIDE); 6108-05-0 (MONOHYDROCHLORIDE MONOHYDRATE))",
"trade_name": "Xylocaine",
"abbrev_name": "",
"description": "Local anesthetics",
"molecular_formula": "C14H22N2O",
"molecular_weight": "234.34",
"state": "solid",
"clearance": "The mean systemic clearance observed for intravenously administered lidocaine in a study of 15 adults was approximately 0.64 +/- 0.18 L/min [F4444].",
"volume_of_distribution": "The volume of distribution determined for lidocaine is 0.7 to 1.5 L/kg [L5948].\n\nIn particular, lidocaine is distributed throughout the total body water [L5930]. Its rate of disappearance from the blood can be described by a two or possibly even three-compartment model [L5930]. There is a rapid disappearance (alpha phase) which is believed to be related to uptake by rapidly equilibrating tissues (tissues with high vascular perfusion, for example) [L5930]. The slower phase is related to distribution to slowly equilibrating tissues (beta phase) and to its metabolism and excretion (gamma phase) [L5930].\n\nLidocaine's distribution is ultimately throughout all body tissues [L5930]. In general, the more highly perfused organs will show higher concentrations of the agent [L5930]. The highest percentage of this drug will be found in skeletal muscle, mainly due to the mass of muscle rather than an affinity [L5930].",
"route_of_elimination": "The excretion of unchanged lidocaine and its metabolites occurs predominantly via the kidney with less than 5% in the unchanged form appearing in the urine [F4349, L5930]. The renal clearance is inversely related to its protein binding affinity and the pH of the urine [L5930]. This suggests by the latter that excretion of lidocaine occurs by non-ionic diffusion [L5930].",
"protein_binding": "The protein binding recorded for lidocaine is about 60 to 80% and is dependent upon the plasma concentration of alpha-1-acid glycoprotein [F4349, L5948]. Such percentage protein binding bestows lidocaine with a medium duration of action when placed in comparison to other local anesthetic agents [L5948].",
"half_life": "The elimination half-life of lidocaine hydrochloride following an intravenous bolus injection is typically 1.5 to 2.0 hours [F4349]. Because of the rapid rate at which lidocaine hydrochloride is metabolized, any condition that affects liver function may alter lidocaine HCl kinetics [F4349]. The half-life may be prolonged two-fold or more in patients with liver dysfunction [F4349].",
"absorption": "In general, lidocaine is readily absorbed across mucous membranes and damaged skin but poorly through intact skin [F4468]. The agent is quickly absorbed from the upper airway, tracheobronchial tree, and alveoli into the bloodstream [F4468]. And although lidocaine is also well absorbed across the gastrointestinal tract the oral bioavailability is only about 35% as a result of a high degree of first-pass metabolism [F4468]. After injection into tissues, lidocaine is also rapidly absorbed and the absorption rate is affected by both vascularity and the presence of tissue and fat capable of binding lidocaine in the particular tissues [F4468].\n\nThe concentration of lidocaine in the blood is subsequently affected by a variety of aspects, including its rate of absorption from the site of injection, the rate of tissue distribution, and the rate of metabolism and excretion [F4349, L5930, L5948]. Subsequently, the systemic absorption of lidocaine is determined by the site of injection, the dosage given, and its pharmacological profile [F4349, L5930, L5948]. The maximum blood concentration occurs following intercostal nerve blockade followed in order of decreasing concentration, the lumbar epidural space, brachial plexus site, and subcutaneous tissue [F4349, L5930, L5948]. The total dose injected regardless of the site is the primary determinant of the absorption rate and blood levels achieved [F4349, L5930, L5948]. There is a linear relationship between the amount of lidocaine injected and the resultant peak anesthetic blood levels [F4349, L5930, L5948].\n\nNevertheless, it has been observed that lidocaine hydrochloride is completely absorbed following parenteral administration, its rate of absorption depending also on lipid solubility and the presence or absence of a vasoconstrictor agent [F4349, L5930, L5948]. Except for intravascular administration, the highest blood levels are obtained following intercostal nerve block and the lowest after subcutaneous administration [F4349, L5930, L5948].\n\nAdditionally, lidocaine crosses the blood-brain and placental barriers, presumably by passive diffusion [F4349].",
"cid": "3676",
"classification": "S; D; R; C; N",
"indications": "Acute coronary syndrome; Acute myocardial infarction; Agitation; Anal fissure; Anal pruritus; Anorectal discomfort; Arrhythmia; Arthropod bite; Bladder pain; Cardiac arrest; Cardiovascular insufficiency; Cystitis; Cystitis noninfective; Discomfort; Eczema; Haemorrhoids; Herpes zoster; Myocardial infarction; Oesophagitis; Oropharyngeal discomfort; Oropharyngeal pain; Pain; Photosensitivity reaction; Post gastric surgery syndrome; Post herpetic neuralgia; Pruritus; Pruritus genital; Retching; Sunburn; Tenderness; Toxicity to various agents; Urethritis; Urethritis noninfective; Ventricular arrhythmia; Vulvovaginal pruritus",
"side_effects": "Nausea (0.02); Vomiting (0.01)",
"atc_codes": "C05AD01; C01BB01; S02DA01; R02AD02; D04AB01; N01BB02; S01HA07; N01BB52",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T408"
],
"function": [
"F0101",
"F0108",
"F0201",
"F02010202",
"F02040101",
"F0303"
],
"references": [
"RC00538",
"RC00539",
"RC03644",
"RC04080",
"RC04204",
"RC04328",
"RC04452",
"RC04576"
]
},
{
"compound_ID": "D0077",
"name": "Linezolid",
"synonyms": "linezolid; 165800-03-3; Zyvox; (S)-N-((3-(3-fluoro-4-morpholinophenyl)-2-oxooxazolidin-5-yl)methyl)acetamide; Zyvoxid; PNU-100766; Zyvoxam; U-100766; PNU 100766; U 100766; UNII-ISQ9I6J12J; C16H20FN3O4; HSDB 7478; CHEMBL126; ISQ9I6J12J; N-(((S)-3-(3-Fluoro-4-morpholinophenyl)-2-oxo-5-oxazolidinyl)methyl)acetamide; N-[[(5S)-3-[3-fluoro-4-(4-morpholinyl)phenyl]-2-oxo-5-oxazolidinyl]methyl]acetamide; CHEBI:63607; TYZROVQLWOKYKF-ZDUSSCGKSA-N; Linezolid, 98%; CPD000466335; (S)-N-[[3-(3-fluoro-4-morpholinylphenyl)-2-oxo-5-oxazolidinyl]methyl]acetamide; Acetamide, N-[[(5S)-3-[3-fluoro-4-(4-morpholinyl)phenyl]-2-oxo-5-oxazolidinyl]methyl]-; N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide; N-{[(5s)-3-(3-Fluoro-4-Morpholin-4-Ylphenyl)-2-Oxo-1,3-Oxazolidin-5-Yl]methyl}acetamide; Q-201308; LINEZOLIDE; Zivoxid; Zyvoxa; Linezolid [USAN:INN]; (S)-N-[[3-(3-Fluoro-4-morpholinophenyl)-2-oxo-5-oxazolidinyl]methyl]acetamide; Acetamide, N-(((5S)-3-(3-fluoro-4-(4-morpholinyl)phenyl)-2-oxo-5-oxazolidinyl)methyl)-; Acetamide, N-((3-(3-fluoro-4-(4-morpholinyl)phenyl)-2-oxo-5-oxazolidinyl)methyl)-, (S)-; N-[[(5S)-3-(3-fluoro-4-morpholino-phenyl)-2-oxo-oxazolidin-5-yl]methyl]acetamide; N-[[(5S)-3-[3-Fluoro-4-(4-morpholinyl)phenyl]-2-oxo-5-oxazolidinyl]methyl]-acetamide; SMR000466335; ZLD; Zyvox (TN); SR-01000759376; Linezolid & VRC3375; Linezolidum; Linezoid; Linezolid (JAN/USAN/INN); Linezolid [USAN:INN:BAN]; Linezolid(Zyvox); NCGC00164628-01; Linezolid (Zyvox); AK105905; N-({(5S)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide; N-{[(5S)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide; 111GE017; NDA 21-130 Zyvox (linezolid tablets); N-((3-(3-fluoro-4-morpholinylphenyl)-2-oxo-5-oxazolidinyl)methyl)acetamide; SCHEMBL5027; DSSTox_CID_26489; DSSTox_RID_81660; DSSTox_GSID_46489; MLS000759444; MLS001424075; BIDD:GT0404; Benzotriazol-2-yl-acetonitrile; cid_441401; Linezolid (PNU-100766); QCR-88; DTXSID5046489; Linezolid, >=98% (HPLC); NDA 21-131 Zyvox for injection (linezolid injection); SYN3021; HMS2051F08; HMS2089K06; HMS3260C14; HMS3713K10; NDA 21-132 Zyvox oral suspension (linzolid oral suspension); BCP05586; KS-00000BB5; ZINC2008866; Tox21_112246; Tox21_500096; BDBM50116067; GA2609; MFCD00937825; s1408; AKOS016340522; AM84567; BCP9000855; CCG-101009; CS-0756; DB00601; KS-1178; NC00259; NCGC00260781-01; NCGC00263531-03; NCGC00263531-10; CC-29960; HY-10394; N-({5S)-3-[3-Fluoro-4-(4-morpholinyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide, N-[[(S)-3-(3-Fluoro-4-morpholinophenyl)-2-oxo-5-oxazolidinyl]methyl]acetamide; SAM001246624; SC-11638; AB0012049; AX8042607; LS-173594; ST2408359; CAS-165800-03-3; FT-0080803; FT-0602524; SW197639-3; C08146; D00947; J90009; M-8338; AB00639994-06; AB00639994-08; AB00639994-09; AB00639994_10; AB00639994_11; 800L033; A810662; C-20237; Q411377; SR-01000759376-4; SR-01000759376-5; U-100,766; Linezolid, United States Pharmacopeia (USP) Reference Standard; (S)-N-((3-fluoro-4-morpholinophenyl)-2-oxaoxazolidin-5-yl)methyl)acetamide; Linezolid, Pharmaceutical Secondary Standard; Certified Reference Material; (Linezolid)N-[3-(3-Fluoro-4-morpholin-4-yl-phenyl)-2-oxo-oxazolidin-5-ylmethyl]-acetamide; (R)-N-((3-(3-fluoro-4-morpholinophenyl)-2-oxooxazolidin-5-yl)methyl)acetamide; (S)-N-((3-(3-fluoro-4-(4-morpholinyl)phenyl)-2-oxo-5-oxazolidinyl)methyl)acetamide; (S)-N-[ [3-[3-fluoro-4-(4-morpholinyl)phenyl]-2-oxo-oxazolidin-5-yl]methyl]-acetamide; (S)-N-[[3-[3-Fluoro-4-(4-morpholinyl)phenyl]-2-oxo-5-oxazolidinyl]methyl]-acetamide; N-[(R)-3-(3-Fluoro-4-morpholin-4-yl-phenyl)-2-oxo-oxazolidin-5-ylmethyl]-acetamide; N-[(S)-3-(3-Fluoro-4-morpholin-4-yl-phenyl)-2-oxo-oxazolidin-5-ylmethyl]-acetamide; N-[3-(3-Fluoro-4-morpholin-4-yl-phenyl)-2-oxo-oxazolidin-5-ylmethyl]-acetamide; N-[3-(3-Fluoro-4-morpholin-4-yl-phenyl)-2-oxo-oxazolidin-5-ylmethyl]-acetamide(linezolid); (S)-3-(3-Fluoro-4-morpholin-4-yl-phenyl)-5-[(1-hydroxy-ethylamino)-methyl]-oxazolidin-2-one; N-((S)-2-oxo-3-(S)-2,3,3a,4-tetrahydro-1H-benzo[b]pyrrolo[1,2-d][1,4]oxazin-7-yl-oxazolidin-5-ylmethyl)-acetamide; N-[[(5S)-3-(3-fluoranyl-4-morpholin-4-yl-phenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]ethanamide",
"trade_name": "Zyvox, Zyvoxid",
"abbrev_name": "",
"description": "Antibacterial; oxazolidinone class",
"molecular_formula": "C16H20FN3O4",
"molecular_weight": "337.35",
"state": "solid",
"clearance": "",
"volume_of_distribution": "* 40 to 50 L [healthy adult volunteers]",
"route_of_elimination": "",
"protein_binding": "0.31",
"half_life": "4.5-5.5 hours",
"absorption": "Linezolid is rapidly and extensively absorbed after oral dosing. Maximum plasma concentrations are reached approximately 1 to 2 hours after dosing, and the absolute bioavailability is approximately 100%.",
"cid": "441401",
"classification": "J",
"indications": "Bacteraemia; Cellulitis gangrenous; Decubitus ulcer; Diabetes mellitus; Diabetic foot infection; Infection; Necrotising fasciitis; Osteomyelitis; Urinary tract infection",
"side_effects": "Abdominal pain; Anaemia; Anaphylactic shock; Apnoea; Body temperature increased; Candida infection; Constipation; Convulsion; Cough; Dermatitis; Diarrhoea; Dizziness; Dysgeusia; Dyspnoea; Eosinophilia; Fluid retention; Fungal infection; Gastrointestinal haemorrhage; Gastrointestinal pain; Generalised oedema; Headache; Hypokalaemia; Injury; Insomnia; Liver function test abnormal; Nausea; Oral candidiasis; Pain; Pharyngitis; Pneumonia; Pruritus; Rash; Sepsis; Skin disorder; Thrombocytopenia; Thrombocytosis; Tongue discolouration; Upper respiratory tract infection; Vertigo; Vomiting; Vulvovaginal candidiasis; Vulvovaginal mycotic infection",
"atc_codes": "J01XX08",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T002",
"T004",
"T005",
"T019"
],
"function": [
"F020103",
"F0604"
],
"references": [
"RC00152",
"RC00153",
"RC00154",
"RC00155",
"RC00156",
"RC03616",
"RC03827",
"RC03832",
"RC03882"
]
},
{
"compound_ID": "D0078",
"name": "Mefenamic acid",
"synonyms": "mefenamic acid; 61-68-7; Ponstel; 2-[(2,3-dimethylphenyl)amino]benzoic acid; Ponstan; Mephenamic acid; Parkemed; Coslan; Mefacit; Ponalar; Methenamic acid; Mephenaminic acid; Bonabol; Lysalgo; Tanston; Vialidon; 2-((2,3-Dimethylphenyl)amino)benzoic acid; Bafameritin-M; Tamany Bonsan; Acide mefenamique; Mefenaminsaeure; Ponstan forte; Namphen; Pontal; Mefanamic acid; Bafhameritin-M; CN-35355; Mefenacid; Ponstil; Ponstyl; Acido mefenamico; Acidum mefenamicum; HL 1; 2-(2,3-Dimethylanilino)benzoic acid; Mefedolo; Mycasaal; N-2,3-Xylylanthranilic acid; Rolan; INF 3355; INF-3355; N-(2,3-Xylyl)anthranilic acid; N-(2,3-Dimethylphenyl)anthranilic acid; AGN-1255; CI-473; CL 473; N-(2,3-Xylyl)-2-aminobenzoic acid; Mefenaminsaeure [German]; Ac. mefenamico [Italian]; Acide mefenamique [French]; Acide mefenamique [INN-French]; Acido mefenamico [INN-Spanish]; Acidum mefenamicum [INN-Latin]; Benzoic acid, 2-[(2,3-dimethylphenyl)amino]-; Anthranilic acid, N-2,3-xylyl-; CN 35355; NSC 94437; 2-(2,3-dimethylphenylamino)benzoic acid; UNII-367589PJ2C; HSDB 3115; EINECS 200-513-1; Benzoic acid, 2-((2,3-dimethylphenyl)amino)-; CI 473; 2-Diphenylaminecarboxylic acid, 2',3'-dimethyl-; CHEMBL686; BRN 2216243; MLS000069709; CHEBI:6717; HYYBABOKPJLUIN-UHFFFAOYSA-N; NSC94437; Anthranilic acid, N-(2,3-xylyl)-; 367589PJ2C; CAS-61-68-7; NCGC00016278-07; CPD000058188; SMR000058188; Benzoic acid, 2-(2,3-dimethylphenyl)amino-; DSSTox_CID_3243; DSSTox_RID_76938; DSSTox_GSID_23243; in-M; Mefenamicacid; 2-(2,3-Xylidino)benzoic Acid; SR-01000000216; Mefenaminsaure; mefenamic-acid; Prestwick_506; MFCD00051721; Mefenamic Acid,(S); Spectrum_000174; Opera_ID_542; Mefenamic acid [USAN:USP:INN:BAN:JAN]; Prestwick0_000054; Prestwick1_000054; Prestwick2_000054; Prestwick3_000054; Spectrum2_001941; Spectrum3_001082; Spectrum4_001235; Spectrum5_001341; M1782; Anthranilic acid,3-xylyl-; cid_4044; SCHEMBL3544; Oprea1_193889; BSPBio_000207; BSPBio_002724; KBioGR_001730; KBioSS_000654; MLS001074162; DivK1c_000298; SPECTRUM1501103; SPBio_002001; SPBio_002128; BPBio1_000229; F0850-6853; GTPL2593; SGCUT00005; WLN: QVR BMR B1 C1; DTXSID5023243; HMS500O20; KBio1_000298; KBio2_000654; KBio2_003222; KBio2_005790; KBio3_001944; KS-00000WDA; ZINC20241; BRD8217; NINDS_000298; CI 473 pound notCN-35355; HMS1568K09; HMS1921D13; HMS2090B07; HMS2092B17; HMS2095K09; HMS2232P18; HMS3259M19; HMS3370K18; HMS3652A10; HMS3712K09; Pharmakon1600-01501103; Mefenamic acid (JP17/USP/INN); Mefenamic acid, analytical standard; ALBB-025759; BCP08499; BRD-8217; HY-B0574; to_000071; Tox21_110344; Tox21_301983; BBL003564; BDBM50134036; CCG-39434; NSC-94437; NSC757834; s4078; SBB056999; STK666691; AKOS001025551; AKOS002388313; Benzoic acid,3-dimethylphenyl)amino]-; Tox21_110344_1; CS-2681; DB00784; MCULE-1031776135; NC00517; NSC-757834; IDI1_000298; SMP2_000141; 2-(2,3-Dimethylanilino)benzoic acid #; NCGC00016278-01; NCGC00016278-02; NCGC00016278-03; NCGC00016278-04; NCGC00016278-05; NCGC00016278-06; NCGC00016278-10; NCGC00022393-03; NCGC00022393-04; NCGC00022393-05; NCGC00255401-01; AC-11160; AK-72920; AS-12677; BR-72920; LS-20589; SAM002554908; SC-16204; ST086740; SBI-0051636.P002; 2-(2,3-Dimethyl-phenylamino)-benzoic acid; AB0012318; AB1009470; ST2409237; 2-[(2,3-dimethylphenyl) amino]benzoic acid; 2-Diphenylaminecarboxylic acid,3'-dimethyl-; AB00052200; AM20060688; FT-0628184; SW196700-3; UNM000001233403; C02168; D00151; M-6454; AB00052200-17; AB00052200_18; AB00052200_19; A833367; Q284321; SR-01000000216-2; SR-01000000216-4; W-105113; BRD-K92778217-001-06-1; Z56755828; 2-(2,3-Dimethyl-phenylamino)-benzoic acid(Mefenamic acid); Mefenamic acid, European Pharmacopoeia (EP) Reference Standard; Mefenamic acid, United States Pharmacopeia (USP) Reference Standard; 4-methyl-N-(3-{3-[(4-methylpiperidin-1-yl)carbonyl]imidazo[2,1-b][1,3]thiazol-6-yl}phenyl)benzenesulfonamide; InChI=1/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18",
"trade_name": "",
"abbrev_name": "",
"description": "anthranilic acid derivatives class of nonsteroidal anti-inflammatory drugs",
"molecular_formula": "C15H15NO2",
"molecular_weight": "241.28",
"state": "solid",
"clearance": "* Oral cl=21.23 L/hr [Healthy adults (18-45 yrs)]",
"volume_of_distribution": "* 1.06 L/kg [Normal Healthy Adults (18-45 yr)]",
"route_of_elimination": "The fecal route of elimination accounts for up to 20% of the dose, mainly in the form of unconjugated 3-carboxymefenamic acid.3 The elimination half-life of mefenamic acid is approximately two hours. Mefenamic acid, its metabolites and conjugates are primarily excreted by the kidneys. Both renal and hepatic excretion are significant pathways of elimination.",
"protein_binding": "0.9",
"half_life": "2 hours",
"absorption": "Mefenamic acid is rapidly absorbed after oral administration.",
"cid": "4044",
"classification": "M",
"indications": "Body temperature increased; Diabetes mellitus; Dysmenorrhoea; Menorrhagia; Metrorrhagia; Pain; Toothache",
"side_effects": "",
"atc_codes": "M01AG01",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T002",
"T408"
],
"function": [
"F01",
"F0108",
"F0201",
"F02010102",
"F02010103",
"F0206",
"F0221",
"F0303",
"F0504",
"F070105",
"F070106"
],
"references": [
"RC04085",
"RC04209",
"RC04333",
"RC04457",
"RC04581",
"RC04767",
"RC04780",
"RC04793",
"RC04806",
"RC04819",
"RC04832",
"RC04845",
"RC04858"
]
},
{
"compound_ID": "D0079",
"name": "Meloxicam",
"synonyms": "meloxicam; 71125-38-7; Mobic; Metacam; Movalis; Mobicox; Meloxicam (Mobic); Mobec; Meloxicamum; Movatec; Parocin; Meloxicamum [Latin]; UH-AC 62XX; 4-Hydroxy-2-methyl-N-(5-methylthiazol-2-yl)-2H-benzo[e][1,2]thiazine-3-carboxamide 1,1-dioxide; 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide; UNII-VG2QF83CGL; UHAC-62XX; CCRIS 9139; C14H13N3O4S2; VG2QF83CGL; CHEMBL599; 4-Hydroxy-2-methyl-N-(5-methyl-2-thiazolyl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide; MLS000028587; CHEBI:6741; miloxicam; NCGC00018248-04; AK-77454; SMR000058994; DSSTox_CID_803; Meloxicam, 99-101%; 4-hydroxy-2-methyl-N-(5-methyl-2-thiazolyl)-2H-1,2-benzothiazine-3-carboxamide-1,1-dioxide; DSSTox_RID_75796; DSSTox_GSID_20803; Revmoksikam; Coxflam; Coxicam; Melonex; Meloxivet; Tenaron; Vivlodex; Melfax; 2H-1,2-Benzothiazine-3-carboxamide, 4-hydroxy-2-methyl-N-(5-methylthiazolyl)-, 1,1-dioxide; (E)-3-(hydroxy((5-methylthiazol-2-yl)amino)methylene)-2-methyl-2,3-dihydro-4H-benzo[e][1,2]thiazin-4-one 1,1-dioxide; 1027136-06-6; 133687-22-6; CAS-71125-38-7; HSDB 7741; Meloxicam(Mobic); Meloxicam [USAN:USP:INN:BAN]; Meloxicam,(S); 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1?^{6},2-benzothiazine-3-carboxamide; MXM; Mobic (TN); Opera_ID_2; Spectrum_001633; Spectrum2_000941; Spectrum3_000649; Spectrum4_000787; Spectrum5_001813; SCHEMBL3576; Lopac0_000766; SCHEMBL33369; BSPBio_002257; KBioGR_001234; KBioSS_002113; Meloxicam (JAN/USAN/INN); Meloxicam [USAN:BAN:INN]; MLS001304725; MLS001306413; MLS006011422; BIDD:GT0726; SCHEMBL713100; SPECTRUM1504150; SPBio_000902; GTPL7220; CHEMBL1741042; DTXSID1020803; CTK6C3599; CTK6C3600; KBio2_002113; KBio2_004681; KBio2_007249; KBio3_001477; ETI-511; ZRVUJXDFFKFLMG-UHFFFAOYSA-N; HMS1922D19; HMS2089B18; HMS2096I19; HMS2234P07; HMS2236C09; HMS3259H06; HMS3372C13; HMS3372P18; HMS3655K06; HMS3713I19; HMS3744K09; ALBB-027268; BB_SC-04648; BCP11928; HY-B0261; KS-00000JN4; ZX-AN025777; Tox21_111734; Tox21_113192; Tox21_201689; Tox21_302756; ANW-57553; BBL029076; BDBM50056998; BG0248; CCG-39098; HSCI1_000045; MFCD00868752; s1734; STK620505; ZINC13129998; AKOS000279442; AKOS026749959; Tox21_111734_1; ZINC103620661; AC-1325; CS-2247; DB00814; KS-1084; MCULE-4138373089; NC00698; RTR-031220; 4-Hydroxy-2-methyl-N-(5-methyl-2-thiazoyl)-2H-1,2-benzothiazine-3-carboxamide-1,1-dioxide; SMP2_000133; NCGC00018248-01; NCGC00018248-02; NCGC00018248-03; NCGC00018248-05; NCGC00018248-06; NCGC00018248-07; NCGC00018248-08; NCGC00022924-03; NCGC00022924-04; NCGC00256316-01; NCGC00259238-01; NCGC00263878-02; 2H-1,2-Benzothiazine-3-carboxamide, 4-hydroxy-2-methyl-N-(5-methyl-2-thiazolyl)-, 1,1-dioxide; CC-30198; CPD000718800; LS-40538; SAM002589991; SC-12165; SMR000718800; AB0007297; AB1009494; DB-055490; Meloxicam 1.0 mg/ml in Dimethyl Sulfoxide; FT-0082769; FT-0628193; M1959; R3928; ST24023559; SW219562-1; EN300-52507; C08169; D00969; J10218; N-1539; AB00383033-17; AB00383033-18; AB00383033_20; 125M387; A837087; AN-668/13244001; C-20653; Q414028; SR-01000003132-10; F2173-0387; Z1695493323; 4-hydroxy-2-methyl-N-(5-methy-2-thiazolyl)-2H-1,2-benzothiazine-3-caboxamide-1,1-dioxide; (3Z)-2-methyl-3-[[(5-methyl-1,3-thiazol-2-yl)amino]-oxidanyl-methylidene]-1,1-bis(oxidanylidene)-1$l^{6},2-benzothiazin-4-one; (3Z)-3-[hydroxy-[(5-methyl-2-thiazolyl)amino]methylidene]-2-methyl-1,1-dioxo-1$l^{6},2-benzothiazin-4-one; 3-{hydroxy[(5-methyl-1,3-thiazol-2-yl)amino]methylidene}-2-methyl-2,3-dihydro-4H-1,2-benzothiazin-4-one 1,1-dioxide; 4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e][1,2]thiazine-3-carboxylic acid (5-methyl-thiazol-2-yl)-amide; 4-hydroxy-2-mehtyl-N-(5-mehtyl-2-thiazolyl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide; 4-Hydroxy-2-methyl-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e][1,2]thiazine-3-carboxylic acid (5-methyl-thiazol-2-yl)-amide; 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1$l^{6},2-benzothiazine-3-carboxamide; 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-2H-1$l^{6},2-benzothiazine-3-carboxamide; 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-2H-1lambda6,2-benzothiazine-3-carboxamide; 4-Hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2-benzothiazin-3-crboxamide 1,1-dioxide; 4-hydroxy-2-methyl-N-(5-methyl-2-thiazole)-2H-1,2-benzothiazine-3 -carboxamide 1,1-dioxide",
"trade_name": "Mobic",
"abbrev_name": "",
"description": "nonsteroidal anti-inflammatory drug (NSAID); blocks cyclooxygenase-2 (COX-2) ; oxicam family; analgesics;",
"molecular_formula": "C14H13N3O4S2",
"molecular_weight": "351.4",
"state": "solid",
"clearance": "* 8.8 mL/min [Healthy Male Adults (Fed) oral 7.5 mg tablets]\n* 9.9 mL/min [Eldery Male (Fed) oral 15 mg capsules]\n* 5.1 mL/min [Eldery Female (Fed) oral 15 mg capsules]\n* 19 mL/min [Renal Failure (Fasted) oral 15 mg capsules]\n* 11 mL/min [Hepatic Insufficiency (Fasted) oral 15 mg capsules]",
"volume_of_distribution": "* 10 L",
"route_of_elimination": "Meloxicam is almost completely metabolized to four pharmacologically inactive metabolites. Meloxicam excretion is predominantly in the form of metabolites, and occurs to equal extents in the urine and feces. Only traces of the unchanged parent compound are excreted in the urine (0.2%) and feces (1.6%). The extent of the urinary excretion was confirmed for unlabeled multiple 7.5 mg doses: 0.5%, 6% and 13% of the dose were found in urine in the form of meloxicam, and the 5'-hydroxymethyl and 5'-carboxy metabolites, respectively.",
"protein_binding": "99.4% bound, primarily to albumin",
"half_life": "15-20 hours",
"absorption": "Absolute bioavailability = 89%",
"cid": "54677470",
"classification": "M",
"indications": "Acute coronary syndrome; Arthritis; Arthropathy; Cerebrovascular accident; Gastrointestinal disorder; Inflammation; Juvenile idiopathic arthritis; Myocardial infarction; Pain; Rheumatoid arthritis",
"side_effects": "Abdominal pain; Abdominal pain upper; Accident at home; Anaemia; Angiopathy; Arthralgia; Arthritis; Asthenia; Back pain; Blood urea increased; Bronchitis; Bursitis; Carpal tunnel syndrome; Cataract; Connective tissue disorder; Constipation; Cough; Creatinine renal clearance decreased; Dehydration; Dermatitis; Diarrhoea; Dizziness; Dry mouth; Dyspepsia; Dyspnoea; Ear disorder; Eructation; Eye disorder; Fatigue; Flatulence; Gastritis; Gastrointestinal disorder; Gastrointestinal haemorrhage; Gastrointestinal pain; Gastrooesophageal reflux disease; Gravitational oedema; Haematuria; Headache; Hepatic function abnormal; Hepatobiliary disease; Hyperhidrosis; Hypersensitivity; Hypertension; Immune system disorder; Increased appetite; Infection; Infestation; Influenza; Influenza like illness; Insomnia; Malnutrition; Mediastinal disorder; Melaena; Mental disorder; Mouth ulceration; Muscle spasms; Musculoskeletal discomfort; Myalgia; Nasopharyngitis; Nausea; Nervous system disorder; Oedema; Oedema peripheral; Pain; Pain in extremity; Pharyngitis; Pleuritic pain; Pollakiuria; Pruritus; Purpura; Rash; Rash erythematous; Red blood cell abnormality; Rheumatoid arthritis; Rhinitis; Sinusitis; Skin disorder; Somnolence; Stomatitis; Tinnitus; Upper respiratory tract infection; Urethral disorder; Urinary tract disorder; Urinary tract infection; Vascular purpura; Vertigo; Visual impairment; Vomiting",
"atc_codes": "M01AC06; M01AC56",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F01",
"F0105",
"F0108",
"F02010102",
"F02010103",
"F0206",
"F0221",
"F0504",
"F070105",
"F070106"
],
"references": [
"RC03610",
"RC02002",
"RC02623",
"RC03244",
"RC04768",
"RC04781",
"RC04794",
"RC04807",
"RC04820",
"RC04833",
"RC04846",
"RC04859"
]
},
{
"compound_ID": "D0080",
"name": "Metformin",
"synonyms": "metformin; 657-24-9; 1,1-Dimethylbiguanide; N,N-dimethylimidodicarbonimidic diamide; Metiguanide; Dimethylbiguanide; Glucophage; Haurymelin; Metformine; Fluamine; Flumamine; Gliguanid; Diabex; Melbin; N,N-Dimethylbiguanide; Metformina; Metforminum; Glifage; Glumetza; Islotin; Siofor; N1,N1-Dimethylbiguanide; DMGG; NNDG; Dimethyldiguanide; N,N-Dimethyldiguanide; Metformina [DCIT]; Imidodicarbonimidic diamide, N,N-dimethyl-; Metformina [Spanish]; Metformine [INN-French]; Metforminum [INN-Latin]; Metformin [USAN:INN:BAN]; 1,1-Dimethyl biguanide; LA-6023; BIGUANIDE, 1,1-DIMETHYL-; UNII-9100L32L2N; C4H11N5; EINECS 211-517-8; CHEMBL1431; CHEBI:6801; XZWYZXLIPXDOLR-UHFFFAOYSA-N; 9100L32L2N; Imidodicarbonimidic diamide-, N,N-dimethyl-; 1-carbamimidamido-N,N-dimethylmethanimidamide; Dimethylguanylguanidine; MLS000028493; [14C]metformin; [14C]-metformin; 657M249; Metformin (USAN/INN); NCGC00016564-01; SMR000058277; CAS-1115-70-4; 1-[(diaminomethylidene)amino]-N,N-dimethylmethanimidamide; Dianben; Obimet; Dimethylbiguanid; Metformin base; CCRIS 9321; 3-(diaminomethylidene)-1,1-dimethylguanidine; N-dimethylbiguanide; DMBG; Glucophage (Salt/Mix); n',n'-dimethylbiguanide; Prestwick0_000004; Prestwick1_000004; Prestwick2_000004; Prestwick3_000004; DSSTox_CID_3270; N,N-Dimethylguanylguanidin; SCHEMBL8944; DSSTox_RID_76950; DSSTox_GSID_23270; BSPBio_000007; BSPBio_002314; KBioGR_002310; KBioSS_002312; cid_14219; LA 6023 (Salt/Mix); BIDD:GT0697; SPBio_001928; BPBio1_000009; GTPL4503; GTPL4779; SCHEMBL9913821; DTXSID2023270; SCHEMBL10276396; BDBM57047; CTK2F2882; KBio2_002310; KBio2_004878; KBio2_007446; KBio3_002790; cMAP_000016; HMS2089D19; Tox21_302370; BBL012337; BDBM50229665; HSCI1_000295; STK011633; STL483693; STL484070; ZINC12859773; AKOS000121065; AKOS005206848; AKOS015966566; CCG-102605; DB00331; MCULE-7393156510; 3-carbamimidoyl-1,1-dimethyl-guanidine; NCGC00016564-02; NCGC00016564-03; NCGC00016564-05; NCGC00016564-07; NCGC00188959-01; NCGC00255255-01; AS-65365; CAS-657-24-9; Imidodicarbonimidicdiamide, N,N-dimethyl-; K070; LS-43899; SC-73311; SBI-0206876.P001; AB2000590; CS-0009563; FT-0628266; A19551; C07151; D04966; Q19484; 1-[(E)-amino(dimethylamino)methylidene]guanidine; 15673-EP2269977A2; 15673-EP2269989A1; 15673-EP2270007A1; 15673-EP2270011A1; 15673-EP2272825A2; 15673-EP2272834A1; 15673-EP2272841A1; 15673-EP2275108A1; 15673-EP2275414A1; 15673-EP2280001A1; 15673-EP2287165A2; 15673-EP2287166A2; 15673-EP2292228A1; 15673-EP2292620A2; 15673-EP2295406A1; 15673-EP2295409A1; 15673-EP2295411A1; 15673-EP2295422A2; 15673-EP2298742A1; 15673-EP2298769A1; 15673-EP2298772A1; 15673-EP2298776A1; 15673-EP2298779A1; 15673-EP2301533A1; 15673-EP2301923A1; 15673-EP2301929A1; 15673-EP2301935A1; 15673-EP2301936A1; 15673-EP2305648A1; 15673-EP2305674A1; 15673-EP2308839A1; 15673-EP2308847A1; 15673-EP2308878A2; 15673-EP2314576A1; 15673-EP2314588A1; 15673-EP2316470A2; W-109589; {[amino(dimethylamino)methylidene]amino}methanimidamide; BRD-K79602928-003-04-1; BRD-K79602928-003-08-2; 3-(diaminomethylene)-1,1-dimethyl-guanidine;hydrochloride; 3-(diaminomethylidene)-1,1-dimethylguanidine;hydrochloride; 3-[bis(azanyl)methylidene]-1,1-dimethyl-guanidine;hydrochloride; MF8",
"trade_name": "Fortamet, Glucophage, Glumetza",
"abbrev_name": "",
"description": "Antidiabetics; biguanide antihyperglycemic agent; insulin sensitizer",
"molecular_formula": "C4H11N5",
"molecular_weight": "129.16",
"state": "solid",
"clearance": "Renal clearance is about 3.5 times greater than creatinine clearance, which indicates that tubular secretion is the major route of metformin elimination. Following oral administration, approximately 90% of the absorbed drug is eliminated via the renal route within the first 24 hours [FDA label].",
"volume_of_distribution": "The apparent volume of distribution (V/F) of metformin after one oral dose of metformin 850 mg averaged at 654 ± 358 L [FDA label].",
"route_of_elimination": "This drug is substantially excreted by the kidney [FDA label]. \n\nRenal clearance of metformin is about 3.5 times higher than creatinine clearance, which shows that renal tubular secretion is the major route of metformin elimination. After oral administration, about 90% of absorbed metformin is eliminated by the kidneys within the first 24 hours post-ingestion [FDA label].",
"protein_binding": "Metformin is negligibly bound to plasma proteins [FDA label], in contrast to sulfonylureas, which are more than 90% protein bound [A176140].",
"half_life": "Approximately 6.2 hours in the plasma [FDA label] and in the blood, the elimination half-life is approximately 17.6 hours, suggesting that the erythrocyte mass may be a compartment of distribution [FDA label].",
"absorption": "\n**Regular tablet absorption**\n\nThe absolute bioavailability of a metformin 500 mg tablet administered in the fasting state is about 50%-60%. Single-dose clinical studies using oral doses of metformin 500 to 1500 mg and 850 to 2550 mg show that there is a lack of dose proportionality with an increase in metformin dose, attributed to decreased absorption rather than changes in elimination [FDA label]. \n\nAt usual clinical doses and dosing schedules of metformin, steady-state plasma concentrations of metformin are achieved within 24-48 hours and are normally measured at <1 μg/mL [FDA label].\n\n**Extended-release tablet absorption**\n\nAfter a single oral dose of metformin extended-release, Cmax is reached with a median value of 7 hours and a range of between 4 and 8 hours. Peak plasma levels are measured to be about 20% lower compared to the same dose of regular metformin, however, the extent of absorption of both forms (as measured by area under the curve - AUC), are similar [FDA label].\n\n**Effect of food**\n\nFood reduces the absorption of metformin, as demonstrated by about a 40% lower mean peak plasma concentration (Cmax), a 25% lower area under the plasma concentration versus time curve (AUC), and a 35-minute increase in time to peak plasma concentration (Tmax) after ingestion of an 850 mg tablet of metformin taken with food, compared to the same dose administered during fasting [FDA label].\n\nThough the extent of metformin absorption (measured by the area under the curve - AUC) from the metformin extended-release tablet is increased by about 50% when given with food, no effect of food on Cmax and Tmax of metformin is observed. High and low-fat meals exert similar effects on the pharmacokinetics of extended-release metformin [FDA label].",
"cid": "4091",
"classification": "A",
"indications": "Acute coronary syndrome; Blood glucose decreased; Coma; Diabetic ketoacidosis; Fasting; Hyperglycaemia; Hypersensitivity; Ketosis; Lactic acidosis; Metabolic acidosis; Myocardial infarction; Obesity; Type 1 diabetes mellitus; Type 2 diabetes mellitus; Weight decreased",
"side_effects": "Abdominal discomfort; Abdominal distension; Abdominal pain; Asthenia; Constipation; Diarrhoea; Dysgeusia; Dyspepsia; Flatulence; Gastrointestinal disorder; Gastrointestinal pain; Headache; Hypoglycaemia; Infection; Injury; Nausea; Rhinitis; Vomiting",
"atc_codes": "A10BD05; A10BD13; A10BD07; A10BD11; A10BD15; A10BD14; A10BD22; A10BD23; A10BA02; A10BD20; A10BD18; A10BD02; A10BD03; A10BD08; A10BD16; A10BD17; A10BD25; A10BD10",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T002",
"T004",
"T005",
"T019",
"T020",
"T077",
"T106",
"T107",
"T108",
"T109",
"T387",
"T400",
"T408"
],
"function": [
"F0108",
"F0201",
"F02010102",
"F02010103",
"F02010104",
"F02010202",
"F02010204",
"F020103",
"F020104",
"F020201",
"F020202",
"F020301",
"F020302",
"F020303",
"F020304",
"F02040101",
"F02040102",
"F02040103",
"F021201",
"F0303",
"F05"
],
"references": [
"RC00157",
"RC00158",
"RC00159",
"RC00160",
"RC00161",
"RC00622",
"RC00623",
"RC00624",
"RC00625",
"RC00626",
"RC00627",
"RC00628",
"RC00629",
"RC00630",
"RC00631",
"RC00632",
"RC00633",
"RC00634",
"RC00635",
"RC00636",
"RC00637",
"RC00638",
"RC00639",
"RC00640",
"RC00641",
"RC00642",
"RC00643",
"RC00644",
"RC00645",
"RC00646",
"RC00647",
"RC00648",
"RC00649",
"RC00650",
"RC00651",
"RC00652",
"RC00653",
"RC00654",
"RC00655",
"RC00656",
"RC00657",
"RC00658",
"RC00659",
"RC00666",
"RC00667",
"RC00668",
"RC00669",
"RC00670",
"RC00671",
"RC00672",
"RC00673",
"RC00674",
"RC00675",
"RC00676",
"RC00677",
"RC00678",
"RC00679",
"RC00680",
"RC00681",
"RC00682",
"RC00683",
"RC00684",
"RC00685",
"RC00686",
"RC00687",
"RC00758",
"RC00759",
"RC00764",
"RC00767",
"RC00770",
"RC00773",
"RC00777",
"RC00781",
"RC00784",
"RC00787",
"RC00790",
"RC00793",
"RC00796",
"RC00797",
"RC00798",
"RC00801",
"RC00802",
"RC00803",
"RC00806",
"RC00807",
"RC00808",
"RC00936",
"RC03629",
"RC04087",
"RC04211",
"RC04335",
"RC04459",
"RC04583"
]
},
{
"compound_ID": "D0081",
"name": "Metamfetamine",
"synonyms": "METHAMPHETAMINE; Metamfetamine; d-Methamphetamine; d-Deoxyephedrine; d-Desoxyephedrine; d-N-Methylamphetamine; Metamphetamine; d-Methylamphetamine; Methylamphetamine; d-Phenylisopropylmethylamine; N-Methylamphetamine; (S)-Methamphetamine; Norodin; (+)-Methylamphetamine; d-(S)-Methamphetamine; D-1-Phenyl-2-methylaminopropane; Metamfetaminum; Desyphed; (+)-N-Methylamphetamine; (S)-Methylamphetamine; (+)-(S)-Deoxyephedrine; Methyl-beta-phenylisopropylamine; 1-Phenyl-2-methylaminopropane; (S)-(+)-Deoxyephedrine; Metamfetamina; Metanfetamina; Stimulex; Speed; (+)-methamphetamine; 537-46-2; S-(+)-Methamphetamine; (S)-N,alpha-Dimethylbenzeneethanamine; Methamphetaminum; (2S)-N-methyl-1-phenylpropan-2-amine; D-N,alpha-dimethylphenethylamine; Metamfetaminum [INN-Latin]; Metamfetamina [INN-Spanish]; Metanfetamina [INN-Spanish]; Methamphetaminum [INN-Latin]; (+)-2-(N-Methylamino)-1-phenylpropane; Meth; Metamfetamine [INN]; N-Methyl-beta-phenylisopropylamine; Methamphetaminum [JP]; 1-Phenyl-2-methylamino-propan [German]; Metamfetaminum [Latin]; (+)-N,alpha-Dimethylphenethylamine; d-1-Phenyl-2-methylaminopropan [German]; Metanfetamina [Spanish]; (+)-N,alpha-Dimethyl-beta-phenylethylamine; D-1-Phenyl-2-methylaminopropan; 2S-(+)-Methamphetamine; (S)-(+)-Methamphetamine; (+)-(S)-N-alpha-Dimethylphenethylamine; N-Methyl-beta-phenylisopropylamin [German]; NSC 25115; dextromethamphetamine; (S)-N,alpha-Dimethylbenzeneethanoamine; UNII-44RAL3456C; CHEBI:6809; (S)-(+)-N,alpha,dimethylphenethylamine; Metamfetamine (INN); (alphaS)-N,alpha-dimethylbenzeneethanamine; HSDB 3359; Benzeneethanamine, N,alpha-dimethyl-, (S)-; Methyl-.beta.-phenylisopropylamine; d-N,.alpha.-Dimethylphenethylamine; Methamphetamine hydrochloride; EINECS 208-668-7; Phenethylamine, N,alpha-dimethyl-, (+)-; DEA No. 1105; Benzeneethanamine, N,alpha-dimethyl-, (+)-; MYWUZJCMWCOHBA-VIFPVBQESA-N; 44RAL3456C; Benzeneethanamine, N,alpha-dimethyl-, (alphaS)-; 1-Phenyl-2-methylamino-propan; N-Methyl-beta-phenylisopropylamin; Crank; Methamphetamine, its salts, isomers, and salts of its isomers; Crystal Meth; Phenethylamine, N,alpha-dimethyl-, (S)-(+)-; Meth (Street Name); ICE [Street Name]; Crank [Street Name]; Speed [Street Name]; Crystal Meth [Street Name]; N-Methyl-1-phenyl-2-propanamine; (+ )-Methylamphetamine; C10H15N; B40; Benzeneethanamine, N,.alpha.-dimethyl-, (S)-; Phenethylamine, N,.alpha.-dimethyl-, (S)-(+)-; Epitope ID:178090; intra-venous methamphetamine; Benzeneethanamine,.alpha.-dimethyl-, (S)-; d-N,a-dimethylphenethylamine; SCHEMBL42615; Phenethylamine,.alpha.-dimethyl-, (S)-(+)-; CHEMBL1201201; DTXSID8037128; WLN: 1MY1&1R -D; Desyphed hydrochloride (Salt/Mix); NSC25115; ZINC6021043; N-Methyl-1-phenyl-2-propanamine #; BDBM50359499; NSC-25115; PDSP1_001404; PDSP1_001405; PDSP2_001388; PDSP2_001389; (+)-N,.alpha.-Dimethylphenethylamine; (S)-N-methyl-1-phenylpropan-2-amine; DB01577; Desoxyephedrine hydrochloride (Salt/Mix); methyl[(2S)-1-phenylpropan-2-yl]amine; Phenethylamine,.alpha.-dimethyl-, (+)-; (+)-(S)-N-.alpha.-Dimethylphenethylamine; Benzeneethanamine,.alpha.-dimethyl-, (+)-; LS-103331; Phenethylamine, N,.alpha.-dimethyl-, (+)-; Benzeneethanamine, N,.alpha.-dimethyl-, (+)-; C07164; D08187; (+)-N,.alpha.-Dimethyl-.beta.-phenylethylamine; Q191924; Phenethylamine, N,alpha-dimethyl-, (S)-(+)- (8CI); Benzeneethanamine, N,alpha-dimethyl-, (alphaS)- (9CI); UNII-13ZT6YG5SD component MYWUZJCMWCOHBA-VIFPVBQESA-N; (+)-N,.alpha.-Dimethylphenethylamine hydrochloride (Salt/Mix); 139-47-9; S(+)-Methamphetamine solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material",
"trade_name": "Desoxyn, Methedrine",
"abbrev_name": "Meth",
"description": "a potent central nervous system (CNS) stimulant",
"molecular_formula": "C10H15N",
"molecular_weight": "149.23",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "Excretion occurs primarily in the urine, the rate of which is dependent on urine pH. Between 30-54% of an oral dose is excreted in urine as unchanged methamphetamine and 10-23% as unchanged amphetamine. Following an intravenous dose, 45% is excreted as unchanged parent drug and 7% amphetamine.",
"protein_binding": "",
"half_life": "The biological half-life has been reported in the range of 4 to 5 hours.",
"absorption": "Methamphetamine is rapidly absorbed from the gastrointestinal tract with peak methamphetamine concentrations occurring in 3.13 to 6.3 hours post ingestion. Moreover, when administered intranasally or as an inhalation, methamphetamine also demonstrates a high degree of absorption. It is distributed to most parts of the body. Because methamphetamine has a high lipophilicity it is distributed across the blood brain barrier and crosses the placenta.",
"cid": "10836",
"classification": "N",
"indications": "Affect lability; Agitation; Attention deficit/hyperactivity disorder; Distractibility; Electroencephalogram abnormal; Hyperkinesia; Learning disability; Mood swings; Obesity",
"side_effects": "",
"atc_codes": "N06BA03",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0308"
],
"references": [
"RC03704"
]
},
{
"compound_ID": "D0082",
"name": "Methotrexate",
"synonyms": "methotrexate; 59-05-2; Amethopterin; Rheumatrex; Trexall; Metatrexan; Hdmtx; Abitrexate; Methylaminopterinum; Methotrexatum; Metotrexato; Methylaminopterin; MTX; (S)-2-(4-(((2,4-Diaminopteridin-6-yl)methyl)(methyl)amino)benzamido)pentanedioic acid; 4-Amino-10-methylfolic acid; Methotrexate hydrate; Methotrexat; Maxtrex; Rasuvo; A-Methopterin; A-Methpterin; Amethopterin L-; Folex-Pfs; Methotrexat-Ebewe; N-Bismethylpteroylglutamic acid; Methotrexate, L-; Methoxtrexate; NCI-C04671; Antifolan; Metotressato [DCIT]; Mexate-Aq; NSC-740; CL-14377; UNII-YL5FZ2Y5U1; 133073-73-1; Methotrexatum [INN-Latin]; Metotrexato [INN-Spanish]; Amethopterine; Emtexate; EMT 25,299; L-Amethopterin; CCRIS 1109; 4-Aminomethylpteroylglutamic acid; HSDB 3123; NSC 740; TCMDC-125858; (+)-4-Amino-10-methylfolic acid; Abitrexate (Methotrexate); EINECS 200-413-8; R 9985; YL5FZ2Y5U1; Methotextrate; CHEMBL34259; (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid; AI3-25299; NSC740; X 133; 4-Amino-N(sup 10)-methylpteroylglutamic acid; CHEBI:44185; N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-L-glutamic acid; (2S)-2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)formamido]pentanedioic acid; N-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)carbonyl]-L-glutamic acid; CL14377; Kyselina 4-amino-N(sup 10)-methylpteroylglutamova [Czech]; NCGC00025060-04; C20H22N8O5; CL 14377; 4-amino-N(10)-methylpteroylglutamic acid; DSSTox_CID_822; N-(p-(((2,4-Diamino-6-pteridyl)methyl)methylamino)benzoyl)glutamic acid; N-(4-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)-L-glutamicacid; DSSTox_RID_75810; Kyselina N-(p-((2,4-diamino-6-pteridinylmethyl)methylamino)benzoyl)-L-glutamova [Czech]; L-(+)-N-(p-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)glutamic acid; N-(p-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)-L-(+)-glutamic acid; DSSTox_GSID_20822; Fauldexato; Medsatrexate; Methoblastin; Metotressato; Brimexate; Emthexat; Emthexate; Lantarel; Lumexon; Metrotex; Novatrex; Otrexup; Tremetex; Trexeron; Trixilem; Metex; Texate; MLS001401431; (4-(((2,4-diaminopteridin-6-yl)methyl)(methyl)amino)benzoyl)-L-glutamic acid; [3H]methotrexate; Glutamic acid, N-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-, L-; SMR000112001; [3H]-methotrexate; SR-01000075682; SMR000449324; FBOZXECLQNJBKD-UHFFFAOYSA-N; Metolate; Nordimet; Xatmep; Antifolan hydrate; Intradose-MTX; MTX hydrate; 1dhi; 1dhj; 2drc; 4ocx; (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]pentanedioic acid; N-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)-L-glutamic acid; N-{4-[[(2,4-diaminopteridin-6-yl)methyl](methyl)amino]benzoyl}-L-glutamic acid; CAS-59-05-2; Kyselina N-(p-((2,4-diamino-6-pteridinylmethyl)methylamino)benzoyl)-L-glutamova; MPI-2505; Prestwick_322; Methotrexate [USAN:INN:BAN:JAN]; Otrexup (TN); MFCD00150847; Xatmep (TN); folic acid antagonist; An-PDN; Methylaminopterin; MTX; DL-Amethopterin hydrate; Intrathecal methotrexate; Methotrexate [USAN:USP:INN:BAN:JAN]; Spectrum_001836; Tocris-1230; 4kn0; WR-19039; Methylaminopterin hydrate; Prestwick0_000135; Prestwick1_000135; Prestwick2_000135; Spectrum2_001077; Spectrum3_000497; Spectrum4_000616; Spectrum5_000958; Methotrexate - Abitrexate; L(+)-Amethopterin hydrate; NCIMech_000767; SCHEMBL3711; BIDD:PXR0175; Lopac0_000020; KBioGR_001172; KBioSS_002341; KSC269O8T; Kyselina 4-amino-N(sup 10)-methylpteroylglutamova; MLS000049968; MLS002154208; DivK1c_000114; SPBio_001094; SPBio_002149; cid_126941; cid_165528; GTPL4674; GTPL4815; DTXSID4020822; SCHEMBL12421860; BDBM18050; BDBM66082; CTK1G9789; HMS500F16; KBio1_000114; KBio2_002338; KBio2_004906; KBio2_007474; KBio3_001493; Methotrexate (JP17/USP/INN); AOB5585; FBOZXECLQNJBKD-ZDUSSCGKSA-N; g301; NINDS_000114; Bio1_000486; Bio1_000975; Bio1_001464; HMS1568K12; HMS2095K12; HMS2233O18; HMS3260C21; HMS3414L09; HMS3678L07; HMS3712K12; ACT03341; APC-2002; BCP13701; KS-00000L8X; MPI-5004; ZINC1529323; Tox21_110944; Tox21_300269; Tox21_500020; 4-Amino-10-methylfolic acid hydrate; ANW-72813; CCG-35800; LS-249; s1210; STL535338; AKOS016340329; Tox21_110944_1; AB02593; ACN-050905; CS-1732; DB00563; KS-5093; LP00020; MCULE-6523054194; RTR-020497; IDI1_000114; SMP2_000020; (methyl)amino)benzamido)pentanedioic acid; NCGC00025060-01; NCGC00025060-02; NCGC00025060-03; NCGC00025060-05; NCGC00025060-06; NCGC00025060-07; NCGC00025060-08; NCGC00025060-09; NCGC00025060-10; NCGC00025060-11; NCGC00025060-12; NCGC00025060-13; NCGC00025060-15; NCGC00025060-16; NCGC00254216-01; NCGC00260705-01; BR-77824; HY-14519; SC-19293; EU-0100020; FT-0082628; FT-0601523; G-301; SW198601-3; Methotrexate 1.0 mg/ml in Dimethyl Sulfoxide; 1771-EP0930075A1; 1771-EP2269989A1; 1771-EP2269994A1; 1771-EP2270001A1; 1771-EP2270008A1; 1771-EP2270018A1; 1771-EP2270505A1; 1771-EP2272825A2; 1771-EP2272827A1; 1771-EP2272832A1; 1771-EP2275413A1; 1771-EP2275420A1; 1771-EP2277565A2; 1771-EP2277566A2; 1771-EP2277567A1; 1771-EP2277568A2; 1771-EP2277569A2; 1771-EP2277570A2; 1771-EP2277865A1; 1771-EP2277876A1; 1771-EP2280012A2; 1771-EP2281563A1; 1771-EP2281815A1; 1771-EP2287156A1; 1771-EP2289892A1; 1771-EP2289894A2; 1771-EP2292233A2; 1771-EP2292280A1; 1771-EP2292595A1; 1771-EP2292614A1; 1771-EP2292615A1; 1771-EP2292617A1; 1771-EP2295055A2; 1771-EP2295416A2; 1771-EP2295426A1; 1771-EP2295427A1; 1771-EP2298743A1; 1771-EP2298748A2; 1771-EP2298764A1; 1771-EP2298765A1; 1771-EP2298768A1; 1771-EP2298772A1; 1771-EP2298778A1; 1771-EP2298780A1; 1771-EP2301928A1; 1771-EP2301933A1; 1771-EP2305243A1; 1771-EP2305640A2; 1771-EP2305642A2; 1771-EP2305660A1; 1771-EP2305668A1; 1771-EP2305671A1; 1771-EP2305679A1; 1771-EP2305689A1; 1771-EP2308833A2; 1771-EP2308839A1; 1771-EP2308855A1; 1771-EP2308861A1; 1771-EP2311453A1; 1771-EP2311807A1; 1771-EP2311808A1; 1771-EP2311825A1; 1771-EP2311827A1; 1771-EP2311829A1; 1771-EP2311840A1; 1771-EP2311842A2; 1771-EP2311850A1; 1771-EP2314590A1; 1771-EP2316459A1; 1771-EP2316832A1; 1771-EP2316833A1; 1771-EP2316834A1; 1771-EP2371811A2; 1771-EP2374454A1; 5947-EP0930075A1; 5947-EP2269994A1; 5947-EP2289892A1; 73M731; A-2190; A10021; C01937; D00142; J10045; DL-4-Amino-N10-methylpteroylglutamic acid hydrate; Q422232; SR-01000597411; W-60383; (S)-2-(4-(((2,4-diaminopteridin-6-yl)methyl); Q-201366; SR-01000075682-1; SR-01000075682-2; SR-01000075682-6; SR-01000597411-1; W-105347; 2,2'-(9,10-anthracenediylidene)-bis-propanedinitrile; BRD-K59456551-001-09-3; BRD-K59456551-001-11-9; WLN: T66 BN DN GN JNJ CZ EZ H1N1&R DVMYVQ2VQ; Z1541638527; UNII-99ITO15X8S component FBOZXECLQNJBKD-ZDUSSCGKSA-N; Methotrexate, European Pharmacopoeia (EP) Reference Standard; Methotrexate, United States Pharmacopeia (USP) Reference Standard; Glutamic acid,4-diamino-6-pteridinyl)methyl] methylamino]benzoyl]-, L-(+)-; L-Glutamic acid,4-diamino-6-pteridinyl)methyl]- methylamino]benzoyl]-; L-Glutamic acid,N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-,hydrate(9ci); L-Glutamicacid, N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-; Methotrexate for peak identification, European Pharmacopoeia (EP) Reference Standard; Methotrexate for system suitability, European Pharmacopoeia (EP) Reference Standard; Methotrexate, Pharmaceutical Secondary Standard; Certified Reference Material; N-[4-[[(2,4-Diamino-6-pteridinyl)methyl] methylamino]benzoyl]-L-glutamic acid; (2S)-2-[[[4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]phenyl]-oxomethyl]amino]pentanedioic acid;hydrate; (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]glutaric acid;hydrate; (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid;hydrate; (2S)-2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid;hydrate; 70359-39-6; L-Glutamic acid,N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-, hydrate (9CI); Methotrexate, PharmaGrade, Manufactured under appropriate controls for use as a raw material in pharma or biopharmaceutical production, meets EP, USP testing specifications",
"trade_name": "Trexall, Rheumatrex, Otrexup",
"abbrev_name": "MTX, amethopterin",
"description": "chemotherapy agent and immune system suppressant",
"molecular_formula": "C20H22N8O5",
"molecular_weight": "454.4",
"state": "solid",
"clearance": "Methotrexate clearance rates vary widely and are generally decreased at higher doses. Delayed drug clearance has been identified as one of the major factors responsible for methotrexate toxicity.",
"volume_of_distribution": "* 0.18 L/kg [initial volume of distribution (Vd)]\n* 0.4 - 0.8 L/kg [steady state Vd] \nMethotrexate competes with reduced folates for active transport across cell membranes by means of a single carrier-mediated active transport process. At serum concentrations greater than 100 micromolar, passive diffusion becomes a major pathway by which effective intracellular concentrations can be achieved. Methotrexate does not cross the blood-brain-barrier.",
"route_of_elimination": "Renal excretion is the primary route of elimination and is dependent upon dosage and route of administration. IV administration, 80% to 90% of the administered dose is excreted unchanged in the urine within 24 hours. There is limited biliary excretion amounting to 10% or less of the administered dose.",
"protein_binding": "50% bound to protein, primarily to albumin",
"half_life": "Low doses (less than 30 mg/m^2): 3 to 10 hours; High doses: 8 to 15 hours.",
"absorption": "Oral absorption is dose dependent in adults and leukemic pediatric patients. In adults, peak serum levels are reached within one to two hours. At doses of 30 mg/m^2 or less, methotrexate is generally well absorbed with a mean bioavailability of 60%. At doses greater than 80 mg/m^2, the absorption of the doses is significantly less due to a saturation effect.",
"cid": "126941",
"classification": "L",
"indications": "Acute leukaemia; Acute lymphocytic leukaemia; Benign hydatidiform mole; Bladder cancer; Breast cancer; Bronchial carcinoma; Burkitt's lymphoma; Choriocarcinoma; Drug interaction; Fungal infection; Hodgkin's disease; Hodgkin's disease lymphocyte depletion type stage unspecified; Hodgkin's disease lymphocyte predominance type stage unspecified; Juvenile idiopathic arthritis; Leukaemia; Leukaemic infiltration brain; Lung neoplasm malignant; Lymphocytic leukaemia; Lymphoma; Malignant hydatidiform mole; Metastasis; Metastatic neoplasm; Neoplasm; Neoplasm malignant; Oesophageal carcinoma; Osteosarcoma; Osteosarcoma metastatic; Psoriatic arthropathy; Rheumatoid arthritis; Squamous cell carcinoma; Testis cancer",
"side_effects": "",
"atc_codes": "L01BA01; L04AX03",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F02060101"
],
"references": [
"RC03555"
]
},
{
"compound_ID": "D0083",
"name": "Mitomycin",
"synonyms": "mitomycin C; Mitomycin; 50-07-7; Ametycine; Mutamycin; Mitocin-C; Mitomycin-C; Ametycin; Mitomycinum; Mytomycin; Mytozytrex; Mitozytrex; Mitomycinum C; Mitocin C; Mitomycins; Mitamycin; MMC; Mitosol; 7-Amino-9alpha-methoxymitosane; NSC-26980; Mitomycyna C [Polish]; Mito-C; Mit-C; Mitomycine [INN-French]; Mitomycinum [INN-Latin]; Mitomicina [INN-Spanish]; NSC 26980; Mitomycyna C; C15H18N4O5; NCI-C04706; RCRA waste number U010; NSC26980; Mitomycine; CCRIS 414; UNII-50SG953SK6; HSDB 3239; EINECS 200-008-6; RCRA waste no. U010; AI3-26199; CHEBI:27504; 50SG953SK6; Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 6-amino-8-(((aminocarbonyl)oxy)methyl)-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-, (1aS-(1aalpha,8beta,8aalpha,8balpha))-; Mitomicina; DSSTox_CID_898; DSSTox_RID_75853; DSSTox_GSID_20898; Mitomycin (TN); 6-Amino-1,1a,2,8,8a,8b-hexahydro-8-(hydroxymethyl)-8a-methoxy-5-methylazirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione carbamate (ester); Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 6-amino-8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-, (1aS,8S,8aR,8bS)-; CAS-50-07-7; Muamycin (TN); ((1aS,8S,8aR,8bS)-6-amino-8a-methoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazirino[2',3':3,4]pyrrolo[1,2-a]indol-8-yl)methyl carbamate; [(1aS,8S,8aR,8bS)-6-amino-8a-methoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl carbamate; [1aS-(1a?,8?,8a?,8b?)]-6-Amino-8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methylazirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione; Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 6-amino-1,1a,2,8,8a,8b-hexahydro-8-(hydroxymethyl)-8a-methoxy-5-methyl-, carbamate (ester); Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 6-amino-8-(((aminocarbonyl)oxy)methyl)-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-, (1aS,8S,8aR,8bS)-; Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 6-amino-8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-, [1aS-(1aalpha,8beta,8aalpha,8balpha)]-; Mitomycin [USAN:INN:BAN]; Mitomycin (USP/INN); 1404-00-8; MLS002702984; (amino-methoxy-methyl-dioxo-[?]yl)methyl carbamate; Mitomycin C, Streptomyces caespitosus; 7-Amino-9.alpha.-methoxymitosane; Mitonco; Mitoplus; MitoExtra; Mitomycin [USAN:USP:INN:BAN]; NCGC00095258-01; [(1aS,8S,8aR,8bS)-6-Amino-8a-methoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazirino[2'',3'':3,4]pyrrolo[1,2-a]indol-8-yl]methyl carbamate; [(1aS,8S,8aR,8bS)-6-amino-8a-methoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazirino[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl carbamate; Mitomycin C, Streptomyces caespitosus, Carrier-Free; Mitomycin C from Streptomyces caespitosus; Mitomycin C (JP17); CHEMBL105; SCHEMBL3760; CBiol_001927; BSPBio_001267; KBioGR_000607; KBioSS_000607; MLS001332654; Mitozytrex (TN) (Supergene); AMETYCIN pound notmitomycin C; GTPL7089; DTXSID2020898; KBio2_000607; KBio2_003175; KBio2_005743; KBio3_001073; KBio3_001074; EX-A501; NWIBSHFKIJFRCO-WUDYKRTCSA-N; ZX-AFC000411; BCPP000410; Bio1_000213; Bio1_000702; Bio1_001191; Bio2_000464; Bio2_000944; HMS1362O09; HMS1792O09; HMS1990O09; HMS2089F16; HMS3403O09; Tox21_111493; BDBM50428658; GR-311; LS-136; MFCD00078109; s8146; ZINC30726187; AKOS015895703; Tox21_111493_1; ACN-038344; BCP9000285; CCG-208564; CS-0564; DB00305; KS-5148; IDI1_002219; SMP1_000307; NCGC00163468-02; NCGC00163468-03; NCGC00163468-05; NCGC00163468-06; Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 6-amino-8-(((aminocarbonyl)oxy)methyl)-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-, (1aS-(1aalpha,8beta,8aalpha,8balpha))- (9CI); CC-30970; HY-13316; SC-17000; SMR000058401; BCP0726000181; LS-173087; M2320; C06681; D00208; W-5071; AB00918689-03; AB00918689-04; 078M109; C-20147; Mitomycin C, Antibiotic for Culture Media Use Only; Q-201410; BRD-K59670716-001-02-6; BRD-K59670716-001-06-7; Q19856779; Mitomycin C, contains 2 mg Mitomycin C and 48 mg NaCl; UNII-V03E10691T component NWIBSHFKIJFRCO-WUDYKRTCSA-N; WLN: T D3 B556 BN EM JV MVTTT&J GO1 H1OVZ KZ L1; Mitomycin C from Streptomyces caespitosus, >=970 mug/mg (USP XXIV); Mitomycin C from Streptomyces caespitosus, powder, BioReagent, suitable for cell culture; Mitomycin C from Streptomyces caespitosus, powder, contains NaCl as solubilizer; (1ar)-6-amino-8-(((aminoc arbonyl)oxy)methyl)-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methylazirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione; (1ar)-6-amino-8-(((aminocarbonyl)oxy)methyl)-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methylazirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione; [(4S,6S,7R,8S)-11-amino-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.0^{2,7}.0^{4,6}]trideca-1(9),11-dien-8-yl]methyl carbamate; [1aR-(1aalpha,8beta,8aalpha,8balpha)]-6-amino-8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methylazirino[2',3':3,4]pyrrolo[1,2-alpha]indole-4,7-dione; [1aS-(1aalpha,8beta,8aalpha,8balpha)]-6-Amino-8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methylazirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione; 6-amino-1,1a,2,8,8a,8b-hexahydro-8-(hydroxymethyl)-8a-methoxy-5-methylazirino[2',3':3, 4]pyrrolo[1,2-a]indole-4,7-dione, carbamate (ester); 6-amino-1,1a,2,8,8a,8b-hexahydro-8-(hydroxymethyl)-8a-methoxy-5-methylazirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, carbamate (ester); 6-amino-8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl, [1aS-(1aalpha,8beta,8aalpha,8balpha)]-azirino[2',3':3,4]pyrrol o[1,2a]indole-4,7-dione; 6-amino-8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl, [1aS-(1aalpha,8beta,8aalpha,8balpha)]-azirino[2',3':3,4]pyrrolo[1,2a]indole-4,7-dione; Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 6-amino-8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl -, [1aS-(1aalpha,8beta,8aalpha,8balpha)]-; Azirino[2',4]pyrrolo[1,2-a]indole-4,7-dione, 6-amino-1,1a,2,8,8a,8b-hexahydro-8-(hydroxymethyl)-8a- methoxy-5-methyl-, carbamate (ester); Azirino[2',4]pyrrolo[1,2-a]indole-4,7-dione, 6-amino-8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b- hexahydro-8a-methoxy-5-methyl-, [1aR-(1a.alpha.,8.beta.,8a.alpha.,8b.alpha.)]-; Mitomycin C from Streptomyces caespitosus, >=98% (HPLC), potency: >=970 mug per mg (USP XXIV), gamma-irradiated, suitable for cell culture",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C15H18N4O5",
"molecular_weight": "334.33",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "Approximately 10% of a dose of mitomycin is excreted unchanged in the urine.",
"protein_binding": "",
"half_life": "8-48 min",
"absorption": "Erratic.",
"cid": "5746",
"classification": "L",
"indications": "Metastatic neoplasm; Neoplasm malignant",
"side_effects": "Pulmonary oedema (0.65)",
"atc_codes": "L01DC03",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T002",
"T408"
],
"function": [
"F0108",
"F0201",
"F0303"
],
"references": [
"RC04091",
"RC04215",
"RC04339",
"RC04463",
"RC04587"
]
},
{
"compound_ID": "D0084",
"name": "Mitoxantrone",
"synonyms": "mitoxantrone; 65271-80-9; Mitozantrone; Mitoxanthrone; DHAQ; Dihydroxyanthraquinone; Mitoxantron; Novantrone; Mitoxantrona; Mitoxantronum; Mitoxantronum [INN-Latin]; Mitoxantrona [INN-Spanish]; Mitoxantrone [INN]; NSC 279836; UNII-BZ114NVM5P; DHAD; NSC279836; Mitoxantrone (INN); CCRIS 7604; C22H28N4O6; 1,4-Dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione; NSC-279836; BRN 2795126; BZ114NVM5P; 1,4-Bis(2-(2-hydroxyethylamino)ethyl)amino)-5,8-dihydroxyanthraquinone; 5,8-Bis((2-((2-hydroxyethyl)amino)ethyl)amino)-1,4-dihydroxyanthraquinone; 1,4-dihydroxy-5,8-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)anthra-9,10-quinone; 1,4-Dihydroxy-5,8-bis(2-((2-hydroxyethyl)amino)ethylamino)-9,10-anthracenedione; 1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)-9,10-ANTHRACENEDIONE; 1,4-dihydroxy-5,8-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)anthracene-9,10-dione; MLS002703044; 1,4-Dihydroxy-5,8-bis(5-hydroxy-3-azapentylamino)anthrachinon; CHEBI:50729; KKZJGLLVHKMTCM-UHFFFAOYSA-N; NSC299195; NSC301739; NSC-299195; 1,4-Dihydroxy-5,8-bis[[2-[(2-hydroxyethyl)amino]ethyl]amino]-9,10-anthracenedione; 9,10-Anthracenedione, 1,4-dihydroxy-5,8-bis((2-((2-hydroxyethyl)amino)ethyl)amino)-; ANTHRAQUINONE, 5,8-BIS((2-((2-HYDROXYETHYL)AMINO)ETHYL)AMINO)-1,4-DIHYDROXY-; MIX; MLS001333711; Misostol (TN); 1,4-dihydroxy-5,8-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)-9,10-dihydroanthracene-9,10-dione; NCGC00015693-02; Mitoxantrone (free base); SMR000058480; Mitoxantrone [INN:BAN]; CAS-70476-82-3; DHAQ (*Diacetate salt*); SR-01000076001; 2fum; 1,4-dihydroxy-5,8-bis(2-(2-hydroxyethylamino)ethylamino)anthracene-9,10-dione; 1,4-Dihydroxy-5,8-bis[[2-[(2-hydroxyethyl)amino]ethyl]amino]anthracene-9,10-dione; NSC-301739D; Immunex (Salt/Mix); NSC-287836; Spectrum_001655; Liposome Encapsulated Mitoxantrone (LEM); CHEMBL58; Prestwick0_000385; Prestwick1_000385; Prestwick2_000385; Prestwick3_000385; Spectrum2_000908; Spectrum3_001590; Spectrum4_000866; Spectrum5_001205; Lopac-M-6545; cid_4212; Neuro_000153; SCHEMBL3000; BIDD:PXR0181; Lopac0_000779; BSPBio_000569; BSPBio_003160; KBioGR_001531; KBioSS_002135; AN-584/42007670; DivK1c_000516; SPBio_000756; SPBio_002490; BPBio1_000627; GTPL7242; Novantrone(R) (mitoxantrone for injection concentrate); DTXSID4046947; BDBM67690; cid_5458171; CTK8A5416; KBio1_000516; KBio2_002135; KBio2_004703; KBio2_007271; KBio3_002660; NINDS_000516; HMS2090D05; HMS3655E20; KUC108634N; BCP02861; EBD32557; ZINC3794794; CCG-36371; CM0184; s1889; STK631833; Mitoxantrone hydrochloride (Salt/Mix); AKOS005564036; API0003408; BCP9000931; CS-2524; DB01204; KSC-19-204; MCULE-5513787065; IDI1_000516; SMP2_000179; NCGC00015693-01; NCGC00015693-03; NCGC00015693-04; NCGC00015693-05; NCGC00015693-06; NCGC00015693-08; NCGC00162251-01; AK323601; AS-35321; HY-13502; K061; LS-20638; MITOXANTRONE, Mitoxantrone Hydrochloride, Mitoxantrone dihydrochloride, MITOXANTHRONE HYDROCHLORIDE; NCI60_002276; NCI60_002535; SC-22733; SMR001549953; SY226320; SBI-0050757.P003; TX-017756; AB00053716; FT-0630752; SW196745-6; MFCD00242942 (95%); VU0244399-2; 71M809; C11195; D08224; 13181-EP2270008A1; 13181-EP2270505A1; 13181-EP2272827A1; 13181-EP2275420A1; 13181-EP2277876A1; 13181-EP2289892A1; 13181-EP2292617A1; 13181-EP2295055A2; 13181-EP2295412A1; 13181-EP2295413A1; 13181-EP2295416A2; 13181-EP2295426A1; 13181-EP2295427A1; 13181-EP2298748A2; 13181-EP2298764A1; 13181-EP2298765A1; 13181-EP2301928A1; 13181-EP2305642A2; 13181-EP2305660A1; 13181-EP2311453A1; 13181-EP2311808A1; 13181-EP2311829A1; 13181-EP2311837A1; 13181-EP2311840A1; 13181-EP2311842A2; 13181-EP2316832A1; 13181-EP2316833A1; 13181-EP2316834A1; AB00053716-18; AB00053716-19; AB00053716-22; AB00053716_23; AB00053716_24; Q239426; SR-01000076001-7; BRD-K21680192-001-01-5; BRD-K21680192-001-11-4; BRD-K21680192-300-05-2; BRD-K21680192-300-07-8; BRD-K21680192-300-09-4; BRD-K21680192-300-10-2; BRD-K21680192-300-12-8; 1,4-bis[2-(2-hydroxyethylamino)-ethylamino]-5,8-dihydroxyanthraquinone; 1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-dihydroxyanthraquinone; 1,4-dihydroxy-5,8-bis[[2-(2-hydroxyethylamino)ethyl]amino]anthraquinone; 9, 1,4-dihydroxy-5,8-bis[[2-[(2-hydroxyethyl)amino]ethyl] amino]-; 1,4-Bis[[2-[(2-hydroxyethyl)amino]ethyl]imino]-1,4-dihydroanthracene-5,8,9,10-tetrol; 1,4-Dihydroxy-5,8-bis-[[2-[(2-hydroxyethyl)amino]ethyl]amino]anthraquinone; 1,4-dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]-9,10-anthraquinone;hydrochloride; 1,4-dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]-anthracene-9,10-dione; 1,4-dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione;hydrochloride; 1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis(oxidanyl)anthracene-9,10-dione;hydrochloride; 1,4-dihydroxy-5,8-bis[2-[(1,1,2,2-tetradeuterio-2-hydroxyethyl)amino]ethylamino]anthracene-9,10-dione; 9,10-Anthracenedione, 1,4-dihydroxy-5,8-bis((2-((2-hydroxyethyl)amino)ethyl)amino)- (9CI); Mitozantrone|||Novantron|||CL-232325|||1,4-Dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C22H28N4O6",
"molecular_weight": "444.5",
"state": "liquid",
"clearance": "* 21.3 L/hr/m2 [Elderly patients with breast cancer receiving IV administration of 15-90 mg/m2]\n* 28.3 L/hr/m2 [Non-elderly patients with nasopharyngeal carcinoma receiving IV administration of 15-90 mg/m2]\n* 16.2 L/hr/m2 [Non-elderly patients with malignant lymphoma receiving IV administration of 15-90 mg/m2]",
"volume_of_distribution": "* 1000 L/m2",
"route_of_elimination": "",
"protein_binding": "0.78",
"half_life": "75 hours",
"absorption": "Poorly absorbed following oral administration",
"cid": "4212",
"classification": "L",
"indications": "Acute lymphocytic leukaemia; Acute myeloid leukaemia; Blast cell crisis; Chronic myeloid leukaemia; Disability; Hepatic cancer; Hepatic function abnormal; Hepatocellular carcinoma; Hormone-refractory prostate cancer; Leukaemia; Liver disorder; Lymphocytic leukaemia; Lymphoma; Metastatic neoplasm; Multiple sclerosis; Neoplasm malignant; Pain; Prostate cancer; Relapsing-remitting multiple sclerosis",
"side_effects": "Anxiety (0.05); Vision blurred (0.03); Abdominal pain; Abdominal pain upper; Agranulocytosis; Alanine aminotransferase increased; Alopecia; Amenorrhoea; Anaemia; Arrhythmia; Aspartate aminotransferase increased; Asthenia; Back pain; Blood glucose increased; Blood potassium decreased; Body temperature increased; Conjunctivitis; Constipation; Convulsion; Cough; Diarrhoea; Dyspnoea; Ecchymosis; Electrocardiogram abnormal; Foot and mouth disease; Fungal infection; Fungal skin infection; Gamma-glutamyltransferase increased; Gastrointestinal pain; Haemoglobin; Haemoglobin decreased; Haemorrhage; Headache; Infection; Jaundice; Leukopenia; Menorrhagia; Menstrual disorder; Mucosal inflammation; Musculoskeletal discomfort; Nausea; Petechiae; Pharyngitis; Platelet count decreased; Pneumonia; Renal failure; Rhinitis; Sepsis; Sinusitis; Stomatitis; Upper respiratory tract infection; Urinary tract infection; Urine abnormality; Urine analysis abnormal; Vomiting; White blood cell count decreased",
"atc_codes": "L01DB07",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T002",
"T408"
],
"function": [
"F0108",
"F0201",
"F0303"
],
"references": [
"RC04092",
"RC04216",
"RC04340",
"RC04464",
"RC04588"
]
},
{
"compound_ID": "D0085",
"name": "Muraglitazar",
"synonyms": "Muraglitazar; 331741-94-7; Pargluva; BMS-298585; UNII-W1MKM70WQI; W1MKM70WQI; CHEMBL186179; BMS 298585; BMS298585; Muraglitazar [USAN:INN]; CCRIS 9258; Muraglitazar (USAN/INN); DSSTox_CID_31508; DSSTox_RID_97393; DSSTox_GSID_57719; SCHEMBL676469; DTXSID9057719; CTK8E8901; IRLWJILLXJGJTD-UHFFFAOYSA-N; Tox21_113946; BDBM50150998; ZINC49650290; AKOS030255656; NCGC00262954-01; N-((4-methoxyphenoxy)carbonyl)-N-((4-(2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy)phenyl)methyl)glycine; ZINC000049650290; LS-190838; RT-013967; CAS-331741-94-7; FT-0672555; D05091; [C14]-2-((4-methoxyphenoxy)carbonyl)acetic acid; J-019059; Q6937233; (((4-Methoxyphenoxy)carbonyl)(4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benzyl)amino)acetic acid; ((4-Methoxy-phenoxycarbonyl)-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-benzyl}-amino)-acetic acid; 2-[(4-methoxyphenoxycarbonyl)({3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl}methyl)amino]acetic acid; 2-[(4-methoxyphenoxycarbonyl)({4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl}methyl)amino]acetic acid; Glycine, N-((4-methoxyphenoxy)carbonyl)-N-((4-(2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy)phenyl)methyl)-; N-[[4-methoxyphenoxy)carbonyl]-N-[(4-[2-(5-methyl-2-phenyl-4-oxazolyl)-ethoxy]phenyl]methyl]glycine",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C29H28N2O7",
"molecular_weight": "516.5",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "206044",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0086",
"name": "Nabumetone",
"synonyms": "nabumetone; 42924-53-8; Relafen; 4-(6-methoxynaphthalen-2-yl)butan-2-one; Arthaxan; Nabumetona; Relifex; Listran; Relifen; nabumeton; Consolan; Mebutan; Balmox; Relif; 4-(6-Methoxy-2-naphthyl)-2-butanone; Dolsinal; Flambate; Nabumetonum; Unimetone; Prodac; Nabumetonum [INN-Latin]; Nabuser; BRL-14777; 4-(6-Methoxy-2-naphthalenyl)-2-butanone; UNII-LW0TIW155Z; BRL 14777; MLS000069541; 4-(2-Methoxynaphthalen-6-yl)butan-2-one; 2-Butanone, 4-(6-methoxy-2-naphthalenyl)-; BRN 2103472; LW0TIW155Z; SMR000058835; CHEBI:7443; BLXXJMDCKKHMKV-UHFFFAOYSA-N; BRL14777; NCGC00016853-01; AK-86115; CAS-42924-53-8; DSSTox_CID_25472; DSSTox_RID_80901; DSSTox_GSID_45472; 4-[6-methoxy-2-naphthyl]-2-butanone; SR-01000759138; CCRIS 8108; Nabumetone [USAN:BAN:INN:JAN]; Nabumatone Form II; Relafen (TN); Nabumetone [USAN:USP:INN:BAN:JAN]; Spectrum_001486; Opera_ID_765; Prestwick0_000909; Prestwick1_000909; Prestwick2_000909; Prestwick3_000909; Spectrum2_001969; Spectrum4_000174; Spectrum5_001286; cid_4409; SCHEMBL2256; CHEMBL1070; BSPBio_000758; KBioGR_000687; KBioSS_001966; MLS001076325; BIDD:GT0104; DivK1c_000850; SPECTRUM1503650; SPBio_002097; SPBio_002957; Nabumetone, analytical standard; BPBio1_000834; GTPL7245; Nabumetone (JP17/USP/INN); DTXSID4045472; BDBM40128; CTK8B4843; HMS502K12; KBio1_000850; KBio2_001966; KBio2_004534; KBio2_007102; ZINC20221; NINDS_000850; HMS1570F20; HMS1922G10; HMS2090D13; HMS2093I05; HMS2097F20; HMS2230H12; HMS3259I16; HMS3652M04; HMS3714F20; Pharmakon1600-01503650; BCP12152; HY-B0559; Tox21_110647; ANW-46490; CCG-39507; MFCD00079518; NSC758623; s4051; AKOS009529199; Tox21_110647_1; 4-(6-methoxy-2-naphthyl)butan-2-one; API0003472; CS-2669; DB00461; KS-1371; NC00579; NSC-758623; IDI1_000850; NCGC00016853-02; NCGC00016853-03; NCGC00016853-06; NCGC00095063-01; NCGC00095063-02; AC-19025; BC966361; CC-32257; CPD000058835; LS-46825; M727; SAM002564225; SC-77045; SBI-0051869.P002; AX8142896; ST2405403; TC-135235; AB00052392; AM20040460; FT-0629765; SW197312-3; D00425; AB00052392-13; AB00052392_14; AB00052392_15; 924N538; C-13097; Q425207; SR-01000759138-2; SR-01000759138-3; BRD-K65146499-001-04-8; BRD-K65146499-001-14-7; Nabumetone, British Pharmacopoeia (BP) Reference Standard; Nabumetone, European Pharmacopoeia (EP) Reference Standard; Nabumetone, United States Pharmacopeia (USP) Reference Standard",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C15H16O2",
"molecular_weight": "228.29",
"state": "solid",
"clearance": "6-MNA has an apparent steady-state clearance of 20 - 30 mL/min.[label]",
"volume_of_distribution": "The Vd of 6-MNA reported after administration of a single dose is 0.1-0.2 L/kg or approximately 5-10 L.[A178903] Vdss reported in official product labeling is approximately 53 L.[label,L6466]",
"route_of_elimination": "Most drug is eliminated via hepatic metabolism with minimal to no parent drug detectable in the plasma.[label,A178903] 80% of the dose is then excreted by the kidneys and 10% in the feces. It does not appear to undergo enterohepatic recirculation.",
"protein_binding": "6-MNA is over 99% bound to plasma proteins, likely albumin.[label,A178903] The unbound fraction is 0.1-0.2% and remains proportional in the dose range of 1000-2000mg",
"half_life": "6-MNA has a mean half-life of 24 hours with a range of 19-36 hours.[label]",
"absorption": "Nabumetone is well-absorbed from the GI tract and undergoes significant first pass metabolism resulting in approximately 35% being converted to the active metabolite, 6-MNA.[label,A178903] Tmax for 6-MNA varies widely with a mean values of 3 and 11 hours reported in official product monographs, and described as 9-12 hours in published literature [label,L6466,A178903] Administration with food increases Cmax by 33% and increases absorption rate.[label,A178903] If formulated as a suspension the Cmax increases and the Tmax is reduced by 0.8 hours while the all other pharmacokinetic parameters remain unchanged.[A178903]",
"cid": "4409",
"classification": "M",
"indications": "Arthritis; Osteoarthritis; Rheumatoid arthritis",
"side_effects": "Abdominal pain (0.12); Weight increased (0.007); Asthenia; Dizziness; Feeling abnormal",
"atc_codes": "M01AX01",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0087",
"name": "Naltrexone",
"synonyms": "naltrexone; 16590-41-3; ReVia; Vivitrol; N-Cyclopropylmethylnoroxymorphone; Celupan; Vivitrex; Naltrexonum; Naltrexona; Naltrexonum [INN-Latin]; Naltrexona [INN-Spanish]; UNII-5S6W795CQM; N-Cyclopropylmethyl-14-hydroxydihydromorphinone; Naltrexone [USAN:INN:BAN]; CCRIS 3506; HSDB 6750; 17-(Cyclopropylmethyl)-4,5alpha-epoxy-3,14-dihydroxymorphinan-6-one; EINECS 240-649-9; UM-792; 17-(Cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxymorphinan-6-one; BRN 3596648; 5S6W795CQM; CHEBI:7465; (-)-Naltrexone; Nemexin; EN-1639A [AS HYDROCHLORIDE]; DSSTox_CID_26313; DSSTox_RID_81532; DSSTox_GSID_46313; Morphinan-6-one, 17-(cyclopropylmethyl)-4,5-alpha-epoxy-3,14-dihydroxy-; Morphinan-6-one, 17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxy-, (5alpha)-; (1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-trien-14-one; Naltrexone base anhydrous; CAS-16590-41-3; Naltrexon; (-)naltrexone; PTI-555; NCGC00162274-02; Vivitrol (TN); naltrexone (ReVia); PubChem24168; (4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one;hydrochloride; Naltrexone (USAN/INN); Prestwick0_000116; Prestwick1_000116; Prestwick2_000116; Prestwick3_000116; US9107954, naltrexone; SCHEMBL34681; BSPBio_000132; BIDD:GT0405; CHEMBL19019; SPBio_002071; BPBio1_000146; GTPL1639; ZINC1773; DTXSID4046313; BDBM60212; cid_5485201; DQCKKXVULJGBQN-XFWGSAIBSA-N; cyclopropylmethyl(dihydroxy)[?]one; HMS2089O11; BCP07022; Tox21_112007; BDBM50000787; PDSP2_000847; AKOS015994596; Tox21_112007_1; CS-0880; DB00704; HS-0002; MCULE-7032963403; SMP1_000206; NCGC00024427-03; NCGC00024427-04; NCGC00024427-05; HY-76711; LS-92094; SC-94535; FT-0696752; C07253; D05113; W-5099; 88088-EP2270005A1; 88088-EP2275420A1; 88088-EP2298761A1; 88088-EP2298776A1; 88088-EP2305648A1; AB00174152-14; AB00174152_17; AR-270/43507956; Q409587; BRD-K88172511-003-21-1; BRD-K88172511-310-03-8; (5alpha)-17-(Cyclopropylmethyl)-3,14-dihydroxy-4,5-epoxymorphinan-6-one; 3,14-dihydroxy-17-(cyclopropylmethyl)-4,5alpha-epoxymorphinan-6-one; 17-(Cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxmorphinan-6-one, (5.alpha.)-; Naltrexone solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material; (1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7,9,11(18)-trien-14-one; (4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(oxidanyl)-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one;hydrochloride; (4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one; 4-(cyclopropylmethyl)-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.0~1,13~.0~5,17~.0~7,18~]octadeca-7(18),8,10-trien-14-one",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C20H23NO4",
"molecular_weight": "341.4",
"state": "solid",
"clearance": "* ~ 3.5 L/min [after IV administration]",
"volume_of_distribution": "* 1350 L [intravenous administration]",
"route_of_elimination": "Both parent drug and metabolites are excreted primarily by the kidney (53% to 79% of the dose), however, urinary excretion of unchanged naltrexone accounts for less than 2% of an oral dose and fecal excretion is a minor elimination pathway. The renal clearance for naltrexone ranges from 30 to 127 mL/min and suggests that renal elimination is primarily by glomerular filtration.",
"protein_binding": "21% bound to plasma proteins over the therapeutic dose range.",
"half_life": "4 hours for naltrexone and 13 hours for the active metabolite 6 beta-naltrexol.",
"absorption": "Although well absorbed orally, naltrexone is subject to significant first pass metabolism with oral bioavailability estimates ranging from 5 to 40%.",
"cid": "5360515",
"classification": "N; A",
"indications": "Alcohol abuse; Alcoholism; Drug dependence",
"side_effects": "Anxiety (0.02); Vomiting (0.03); Headache; Nausea",
"atc_codes": "N02AA56; N07BB04; A08AA62",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0088",
"name": "Naproxen",
"synonyms": "NAPROXEN; 22204-53-1; (S)-Naproxen; (+)-Naproxen; Naprosyn; Naproxene; Equiproxen; Aleve; (S)-(+)-Naproxen; Laraflex; Naproxeno; Naproxenum; d-Naproxen; (S)-(+)-2-(6-Methoxy-2-naphthyl)propionic acid; Calosen; Naprosyne; Nycopren; Bonyl; Naixan; Reuxen; Axer; (+)-(S)-Naproxen; Ec-Naprosyn; (S)-2-(6-methoxynaphthalen-2-yl)propanoic acid; (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid; Acusprain; Anexopen; Arthrisil; Artrixen; Artroxen; Bipronyl; Clinosyn; Danaprox; Flexipen; Leniartil; Novonaprox; Anaprox; Apronax; Artagen; Atiflan; Congex; Daprox; Genoxen; Lefaine; Nafasol; Nalyxan; Napflam; Napmel; Naposin; Napren; Naprius; Veradol; Fuxen; Naxen; Naxyn; Xenar; Dysmenalgit N; Apo-Naproxen; Floginax; Headlon; Napratec; Naprontag; Narocin; Naxopren; Prafena; Priaxen; Pronaxen; Rheumaflex; Saritilron; Sinartrin; Soproxen; Sutolin; Tohexen; Traumox; Flexen; Napxen; Noflam; Patxen; Rahsen; Sinton; Sutony; Velsay; Vinsen; Narma; Roxen; Anax; (S)-2-(6-Methoxy-2-naphthyl)propionic acid; Flanax Forte; (+)-2-(6-Methoxy-2-naphthyl)propionic acid; Naprosyn LLE; Napren E; Proxen LE; Naxen F; Proxen LLE; U-Ritis; naproxen(+); (+)-2-(Methoxy-2-naphthyl)-propionic acid; RS-3540; Naprosyn LLE Forte; Naproxi 250; Naproxi 500; (S)-6-Methoxy-alpha-methyl-2-naphthaleneacetic acid; Naxyn 250; Naxyn 500; (S)-2-(6-Methoxy-2-naphthyl)propanoic acid; Equiproxen (Veterinary); Apo-Napro-NA; Naproxene [INN-French]; Naproxenum [INN-Latin]; Naproxeno [INN-Spanish]; d-2-(6-Methoxy-2-naphthyl)propionic acid; (+)-2-(Methoxy-2-naphthyl)-propionsaeure; UNII-57Y76R9ATQ; (+)-(S)-6-Methoxy-alpha-methyl-2-naphthaleneacetic acid; (S)-(+)-6-Methoxy-alpha-methyl-2-naphthaleneacetic acid; Dysmenalgit; Diocodal; Prexan; CG 3117; CCRIS 5265; CHEBI:7476; HSDB 3369; EINECS 244-838-7; CHEMBL154; RS 3540; (+)-6-Methoxy-alpha-methyl-2-naphthaleneacetic acid; 57Y76R9ATQ; d-2-(6'-Methoxy-2'-naphthyl)-propionsaeure; (2S)-2-(6-methoxy-2-naphthyl)propanoic acid; CMWTZPSULFXXJA-VIFPVBQESA-N; Laser; (+)-2-(Methoxy-2-naphthyl)-propionsaeure [German]; MFCD00010500; Propionic acid, 2-(6-methoxy-2-naphthyl)-, (+)-; d-2-(6'-Methoxy-2'-naphthyl)-propionsaeure [German]; Duk; 2-Naphthaleneacetic acid, 6-methoxy-alpha-methyl-, (+)-; 2-Naphthaleneacetic acid, 6-methoxy-alpha-methyl-, (S)-; Methoxypropiocin; CAS-22204-53-1; (S)-2-(6-Methoxy-naphthalen-2-yl)-propionic acid; (S)-6-Methoxy-.alpha.-methyl-2-naphthaleneacetic acid; Naprosin; 26159-31-9; Xenar-CR; (s)-(+)-6-methoxy-alpha-methyl-2-naphthalene acetic acid; 2-Naphthaleneacetic acid, 6-methoxy-.alpha.-methyl-, (S)-; Naprolag; Naprosine; Naprosy; Panoxen; Proxine; Mnpa; SR-01000075977; 2-Naphthaleneacetic acid, 6-methoxy-.alpha.-methyl-, (.alpha.S)-; DL Naproxen; Naproxen [USAN:BAN:INN:JAN]; Naprosyn (TN); Naproxen,(S); NPS; Prestwick_349; Naproxen [USAN:USP:INN:BAN:JAN]; PubChem8102; Spectrum_000977; 4or0; 4po0; (S)-(+)-Naproxene; Prestwick0_000791; Prestwick1_000791; Prestwick2_000791; Spectrum2_001043; Spectrum3_000514; Spectrum4_000069; Spectrum5_001327; (+)NAPROXEN; Naproxen2-(6-Methoxy-naphthalen-2-yl)-propionic acid; Epitope ID:139974; UPCMLD-DP001; 2-(6-Methoxy-naphthalen-2-yl)-propionic acid(Naproxen); EC 244-838-7; SCHEMBL3046; DSSTox_CID_20686; DSSTox_RID_79542; DSSTox_GSID_40686; Lopac0_000792; BSPBio_002067; KBioGR_000597; KBioSS_001457; KSC911E2L; ARONIS24306; BIDD:GT0062; DivK1c_000242; SPECTRUM1500425; Naproxen (JP17/USP/INN); SPBio_000966; SPBio_002861; GTPL5230; DTXSID4040686; UPCMLD-DP001:001; CMWTZPSULFXXJA-VIFPVBQESA-; CTK8B1225; HMS500M04; KBio1_000242; KBio2_001457; KBio2_004025; KBio2_006593; KBio3_001567; KS-00002WWU; Naproxen 1.0 mg/ml in Methanol; NINDS_000242; HMS1920P13; HMS2089N21; HMS2091H12; HMS3649M13; Pharmakon1600-01500425; ZINC105216; ACT02593; Tox21_301953; ANW-24773; BDBM50339185; CCG-40130; NSC750183; NSC757239; AKOS005267223; AC-1363; CS-2163; DB00788; MCULE-2589082817; ME-0100; NSC-750183; NSC-757239; RTR-010461; IDI1_000242; Naproxen solution 1.0 mg/ml in methanol; NCGC00016759-01; NCGC00016759-02; NCGC00016759-03; NCGC00021127-01; NCGC00161591-01; NCGC00255562-01; BR-72928; HY-15030; SC-02561; (+)-2-(Methoxy-2-naphthyl)-propionsaure; Naproxen, meets USP testing specifications; SBI-0050769.P004; AB1009325; LS-124738; ST2408284; AM20060551; FT-0082415; FT-0602835; M1021; W4580; Naproxen, VETRANAL(TM), analytical standard; (S)-2-(6-methoxy-2-naphthyl)-propionic acid; 04N531; C01517; D00118; J10145; M-5280; (2S)-2-(6-methoxy(2-naphthyl))propanoic acid; AB00052049-04; AB00052049_05; (+)(S)2-(6-methoxy-2-naphthyl)-propionic acid; 2-(6-Methoxy-2-naphthyl)propanoic acid , (+)-; SR-01000003110; Q-201447; Q1215575; SR-01000003110-5; SR-01000075977-3; SR-01000075977-4; (+)-6-Methoxy-.alpha.-methyl-2-napthaleneacetic acid; BRD-K59197931-001-02-9; BRD-K59197931-001-03-7; BRD-K59197931-236-09-6; SR-01000075977-10; (+)-6-Methoxy-.alpha.-methyl-2-naphthaleneacetic acid; (alphas)-6-methoxy-alpha-methyl-2-naphthaleneacetic acid; (S)-(+)-2-(6-methoxy-naphthalen-2-yl)-propionic acid; (S)-6-Methoxy-.alpha.-methyl-2-naphthalene acetic acid; Naproxen, British Pharmacopoeia (BP) Reference Standard; Naproxen, European Pharmacopoeia (EP) Reference Standard; (S)-(+)-2-(6-Methoxy-2-naphthyl)propionic acid; Naproxen; (S)-(+)-6-Methoxy-alpha-methyl-2-naphthaleneacetic acid, 98%; 2-Naphthaleneacetic acid, 6-methoxy-.alpha.-methyl-, (+)-; Naproxen, United States Pharmacopeia (USP) Reference Standard; 2-Naphthaleneacetic acid, 6-methoxy-alpha-methyl-, (+)- (8CI); Naproxen, Pharmaceutical Secondary Standard; Certified Reference Material; Naproxen solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material; d-Naproxen; (2S)-2-(6-Methoxynaphthalen-2-yl)propanoic acid; (S)-6-Methoxy-?-methyl-2-naphthaleneacetic Acid; d-2-(6-Methoxy-2-naphthyl)propionic Acid; InChI=1/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1",
"trade_name": "Aleve",
"abbrev_name": "",
"description": "nonsteroidal anti-inflammatory drug (NSAID) ; nonselective COX inhibitor; propionic acid class",
"molecular_formula": "C14H14O3",
"molecular_weight": "230.26",
"state": "solid",
"clearance": "Naproxen is cleared at a rate of 0.13 mL/min/kg.[L6582][L6583]",
"volume_of_distribution": "Naproxen has a volume of distribution of 0.16 L/kg.[L6582][L6583]",
"route_of_elimination": "After oral administration, about 95% of naproxen and it's metabolites can be recovered in the urine with 66-92% recovered as conjugated metabolite and less than 1% recovered as naproxen or desmethylnaproxen.[A179197][L6582][L6583] Less than 5% of naproxen is excreted in the feces.[L6582][L6583]",
"protein_binding": "Naproxen is highly protein bound with >99% of the drug bound to albumin at therapeutic levels.[L6582][L6583]",
"half_life": "The half-life of naproxen is reported to be 12-17 hours.[A178975]",
"absorption": "Naproxen is available as a free acid and sodium salt.[A179098] At comparable doses, (naproxen 500 mg = naproxen sodium 550 mg) they differ slightly in their rates of absorption, but otherwise they are therapeutically and pharmacologically equivalent.[A179098] Naproxen sodium achieves a peak plasma concentration after 1 hour, while peak plasma concentration is observed after 2 hours with naproxen (free acid).[A179098] There are no differences between the 2 forms in the post-absorption phase pharmacokinetics.[A179098] The difference in initial absorption should be considered when treating acute pain, since naproxen sodium may offer a quicker onset of action.[A179098]\n\nOverall, naproxen is rapidly and completely absorbed when administered orally and rectally.[A179110][A179098] Food may contribute to a delay in the absorption of orally administered naproxen, but will not affect the extent of absorption.[A179098]",
"cid": "156391",
"classification": "G; M",
"indications": "Abdominal discomfort; Ankylosing spondylitis; Body temperature increased; Fibromyalgia; Gastrointestinal haemorrhage; Gouty arthritis; Headache; Inflammation; Joint swelling; Juvenile idiopathic arthritis; Ligament sprain; Muscle spasms; Musculoskeletal disorder; Musculoskeletal stiffness; Nasopharyngitis; Nephropathy; Osteoarthritis; Procedural pain; Rheumatic disorder; Rheumatoid arthritis; Rhinitis; Rotator cuff syndrome; Spinal osteoarthritis; Spondylitis; Tendonitis; Toothache; Ulcer; Uterine pain; Vasculitis",
"side_effects": "Asthenia (0); Influenza (0.1)",
"atc_codes": "M01AE56; G02CC02; M01AE52; M01AE02; M02AA12",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F010502"
],
"references": [
"RC03808"
]
},
{
"compound_ID": "D0089",
"name": "Nefazodone",
"synonyms": "nefazodone; 83366-66-9; Nefazodona; Nefazodonum; Nefazodonum [Latin]; Nefazodona [Spanish]; Nefazodone [INN:BAN]; UNII-59H4FCV1TF; 1-(3-(4-(m-Chlorophenyl)-1-piperazinyl)propyl)-3-ethyl-4-(2-phenoxyethyl)-delta2-1,2,4-triazolin-5-one; CHEMBL623; 59H4FCV1TF; CHEBI:7494; VRBKIVRKKCLPHA-UHFFFAOYSA-N; Nefadar; 1-(3-(4-(3-Chlorophenyl)piperazin-1-yl)propyl)-3-ethyl-4-(2-phenoxyethyl)-1H-1,2,4-triazol-5(4H)-one; 1-(3-(4-(3-Chlorpheyl-1-piperazinylpropyl)-3-ethyl-4,5-dihydro-4-(2-phenoxyethyl)-1,2,4-triazol-5-on; 2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-ethyl-4-(2-phenoxyethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one; 1-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-3-ethyl-4-(2-phenoxyethyl)-4,5-dihydro-1H-1,2,4-triazol-5-one; 3H-1,2,4-Triazol-3-one, 2,4-dihydro-2-3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)-5-ethyl-4-(2-phenoxyethyl)-; 3H-1,2,4-Triazol-3-one, 2-(3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)-5-ethyl-2,4-dihydro-4-(2-phenoxyethyl)-; Nefazodone (INN); SMR000550487; NCGC00165846-02; C25H32ClN5O2; SR-01000759312; 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-ethyl-4-(2-phenoxyethyl)-1,2,4-triazol-3-one; SCHEMBL35089; MLS001165769; MLS001195657; BIDD:GT0789; GTPL7247; DTXSID2023357; HMS2090D17; HMS2231I17; HMS3264K04; HMS3372C02; Pharmakon1600-01502314; ZINC538065; BCP30990; BDBM50069447; NSC760344; AKOS015907198; API0003523; CCG-213026; DB01149; NSC-760344; VA11366; Dutonin pound>> Nefadar pound>> Serzone; NCGC00165846-01; NCGC00165846-03; 2-[3-[4-(3-Chlorophenyl)-1-piperazinyl]propyl]-5-ethyl-2,4-dihydro-4-(2-phenoxyethyl)-3H-1,2,4-triazol-3-one; 2-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-5-ethyl-4-(2-phenoxyethyl)-2H-1,2,4-triazol-3(4H)-one; 2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-ethyl-4-[2-(phenyloxy)ethyl]-2,4-dihydro-3H-1,2,4-triazol-3-one; AX8022765; LS-156497; FT-0654783; C07256; D08257; AB00640019-14; AB00640019_15; 117201-EP2275420A1; 117201-EP2298764A1; 117201-EP2298765A1; 117201-EP2298776A1; 366N669; A840565; L001196; Q416632; SR-01000759312-5; BRD-K90789829-003-03-3; 2-(3-[4-(3-Chlorophenyl)-1-piperazinyl]propyl)-5-ethyl-4-(2-phenoxyethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one #; 2-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-5-ethyl-4-(2-phenoxyethyl)-1,2,4-triazol-3-one",
"trade_name": "Serzone",
"abbrev_name": "triazolopyridine",
"description": "antidepressant",
"molecular_formula": "C25H32ClN5O2",
"molecular_weight": "470",
"state": "solid",
"clearance": "",
"volume_of_distribution": "* 0.22 to 0.87 L/kg",
"route_of_elimination": "Nefazodone is extensively metabolized after oral administration by n-dealkylation and aliphatic and aromatic hydroxylation, and less than 1% of administered nefazodone is excreted unchanged in urine.",
"protein_binding": "Greater than 99% (in vitro, human plasma proteins).",
"half_life": "2-4 hours",
"absorption": "Nefazodone is rapidly and completely absorbed. Its absolute bioavailability is low (about 20%).",
"cid": "4449",
"classification": "N",
"indications": "Agitation; Asthenia; Bradyphrenia; Decreased interest; Depressed mood; Depression; Disturbance in attention; Drug abuse; Dysphoria; Fatigue; Feeling guilty; Hypersomnia; Insomnia; Mental disability; Suicidal ideation; Suicide attempt",
"side_effects": "Agitation (0.012); Nausea (0.035)",
"atc_codes": "N06AX06",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T002",
"T004",
"T005",
"T019"
],
"function": [
"F020103",
"F020403"
],
"references": [
"RC00162",
"RC00163",
"RC00164",
"RC00165",
"RC00166",
"RC00937",
"RC03627",
"RC04944"
]
},
{
"compound_ID": "D0090",
"name": "Nevirapine",
"synonyms": "nevirapine; 129618-40-2; Viramune; BI-RG-587; Viramune XR; NVP; BIRG 0587; 11-Cyclopropyl-4-methyl-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one; UNII-99DK7FVK1H; 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE; Nevirapine anhydrous; 11-Cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one; Nevirapine (Viramune); BI-RG 587; BIRG-0587; HSDB 7164; CHEMBL57; NEV; NSC 641530; 99DK7FVK1H; 11-CYCLOPROPYL-4-METHYL-5H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6(11H)-ONE; MLS000084585; C15H14N4O; CHEBI:63613; NQDJXKOVJZTUJA-UHFFFAOYSA-N; Nevirapine, 98%; NSC641530; 11-Cyclopropyl-4-methyl-5,11-dihydro-6H-dipyrido[2,3-e:3',2'-b][1,4]diazepin-6-one; 6H-Dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one, 11-cyclopropyl-5,11-dihydro-4-methyl-; NCGC00065890-02; SMR000048458; DSSTox_CID_10787; DSSTox_RID_78889; DSSTox_GSID_31797; 2-cyclopropyl-7-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one; BIRG587; Nevirapine [USAN:INN]; Viramune(TM); Viramune (TN); CAS-129618-40-2; Nevirapine & CD4-IgG; Nevirapine & PRO 140; Nevirapine (JAN/USP/INN); 11-cyclopropyl-4-methyl-5H-dipyrido[[?],[?]][1,4]diazepin-6-one; BIRG 587; BIRG-587; NON-NUCLEOSIDE RT INHIBITOR NEVIRAPINE; 11-cyclopropyl-4-methyl-5H-dipyrido[2,3-b:3',2'-e][1,4]diazepin-6-one; Viramune IR; 1vrt; 2hny; Nevirapine,(S); Nevirapine [USAN:USP:INN:BAN]; BI-RG-587 & CD4-IgG; Opera_ID_934; Viramune;BI-RG 587; SCHEMBL3318; MLS000759409; MLS001055309; MLS001201730; MLS001424058; MLS006011423; BIDD:GT0326; BDBM1434; ZINC4778; DTXSID7031797; CTK8E7455; KS-00000KZF; HMS2051J09; HMS2231O23; HMS3264D21; HMS3371E03; HMS3393J09; HMS3655I08; HMS3715B10; Pharmakon1600-01503842; ALBB-027264; BCP05587; Tox21 110982; Tox21_110982; Tox21_200770; AC-643; BBL010768; MFCD00866928; NSC759902; STK580320; AKOS005504351; Tox21_110982_1; AB07544; CCG-100939; CS-2252; DB00238; KS-5019; LS-2289; MCULE-8608154492; NC00189; NSC-641530; NSC-759902; NCGC00065890-03; NCGC00065890-04; NCGC00065890-05; NCGC00065890-07; NCGC00258324-01; 11-Cyclopropyl-4-methyl-5,11-dihydro-6H-dipyrido[2,3-e:3',2'-b][1,4]diazepin-6-one & PRO 140 (Anti-CCR5 monoclonal antibody); AK143126; CPD000048458; H954; HY-10570; N11-Cyclopropyl-4-methyl-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e]-[1,4]diazepin-6-one & CD4-immunoadhesin; SAM001246551; SC-17266; SY009679; BI-RG 587;NSC 641530;NVP; AB0013383; AB2000266; DB-041930; RT-014690; FT-0607215; N0922; R3924; S1742; ST24038235; SW197569-2; 11-Cyclopropyl-4-methyl-5H-dipyrido[3,2-b; MFCD00866928 (98%); C07263; D00435; AB00393001-13; AB00393001-15; AB00393001_16; AB00393001_17; 618N402; Q263713; F2173-0607; Z1695906730; BI-RG-587; BIRG 0587; BIRG587; HSDB 7164; NSC 641530; NVP; Nevirapine (anhydrous), European Pharmacopoeia (EP) Reference Standard; Nevirapine anhydrous, United States Pharmacopeia (USP) Reference Standard; Nevirapine solution, 1.0 mg/mL in methanol, certified reference material; Nevirapine, Pharmaceutical Secondary Standard; Certified Reference Material; 11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido-[3,2-b:2',3'-e][1,4]diazepin-6-one; 11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3,2-b :2',3'-e][1,4 ]diazepin-6-one; 11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3,2-b:2 ,3 -e][1,4]diazepin-6-one; 11-Cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3,2-b:2', 3'-e][1,4]diazepin-6-one; 5H-Dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one, 5,11-dihydro-11-cyclopropyl-4-methyl-; 6H-dipyrido[2,3-e:3',2'-b][1,4]diazepin-6-one, 11-cyclopropyl-5,11-dihydro-4-methyl-; Nevirapine for peak identification, European Pharmacopoeia (EP) Reference Standard; 11-Cyclopropyl-4-methyl-5,11-dihydro-6H-dipyrido[3,2-b:2 inverted exclamation mark ,3 inverted exclamation mark -e][1,4]diazepin-6-one; 2-cyclopropyl-7-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0(3),]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one; 2-cyclopropyl-7-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-10-one",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C15H14N4O",
"molecular_weight": "266.3",
"state": "solid",
"clearance": "",
"volume_of_distribution": "* 1.21 ± 0.09 L/kg [apparent volume of distribution, healthy adults, IV] \nNevirapine is capable of crossing the placenta and is found in breast milk.",
"route_of_elimination": "Thus cytochrome P450 metabolism, glucuronide conjugation, and urinary excretion of glucuronidated metabolites represent the primary route of nevirapine biotransformation and elimination in humans. Only a small fraction (<5%) of the radioactivity in urine (representing <3% of the total dose) was made up of parent compound; therefore, renal excretion plays a minor role in elimination of the parent compound.",
"protein_binding": "60% bound to plasma protein.",
"half_life": "45 hours",
"absorption": "Nevirapine is readily absorbed (greater than 90%) after oral administration in healthy subjects and adults with HIV-1 infection. The absolute bioavailability in healthy adults following a single dose administration is 93 ± 9% (mean ± SD) for a 50 mg tablet and 91 ± 8% for an oral solution. Peak plasma nevirapine concentrations of 2 ± 0.4 mcg/mL (7.5 micromolar) were attained by 4 hours following a single 200 mg dose. Nevirapine tablets and suspension have been shown to be comparably bioavailable and interchangeable at doses up to 200 mg. When the oral tablet is given with a high-fat meal, the extent of absorption is compared to that of the fasted-state.",
"cid": "4463",
"classification": "J",
"indications": "Acquired immunodeficiency syndrome; Autoimmune disorder; Dermatitis; Hepatotoxicity; Infection; Rash",
"side_effects": "Arthralgia (0.02); Stevens-Johnson syndrome (0.003); Abdominal pain; Agranulocytosis; Anaemia; Asthenia; Body temperature increased; Dermatitis; Diarrhoea; Fatigue; Gastrointestinal pain; Headache; Hepatitis; Hepatotoxicity; Liver function test abnormal; Musculoskeletal discomfort; Myalgia; Nausea; Neutropenia; Rash",
"atc_codes": "J05AG01; J05AR07; J05AR05",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0091",
"name": "Nicotine",
"synonyms": "nicotine; L-Nicotine; (-)-Nicotine; 54-11-5; (S)-Nicotine; (S)-3-(1-methylpyrrolidin-2-yl)pyridine; (S)-(-)-Nicotine; Habitrol; Nicoderm; Nicotrol; 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine; Fumetobac; Micotine; Nicocide; Tendust; Nico-dust; Nicoderm Cq; Emo-nik; Nico-Fume; Nicotine alkaloid; Mach-Nic; Nic-Sal; Nicotine polacrilex; Nikotin [German]; Nikotyna [Polish]; Flux MAAG; Nicotina [Italian]; Ortho N-4 dust; Ortho N-5 dust; XL All Insecticide; Niagara P.A. dust; Nicorette; Nicotina; Nikotyna; Prostep; Destruxol orchid spray; Nicotrol Inhaler; Nicotrol NS; NICOTINE AND SALTS; 3-(N-Methylpyrollidino)pyridine; 3-(N-Methylpyrrolidino)pyridine; L-3-(1-Methyl-2-pyrrolidyl)pyridine; L(-)-nicotine; (-)-3-(1-Methyl-2-pyrrolidyl)pyridine; Ortho N-4 and N-5 dusts; (S)-3-(1-Methyl-2-pyrrolidinyl)pyridine; Nicotin; Caswell No. 597; Black leaf; Nicotine [BSI:ISO]; Tetrahydronicotyrine, DL-; RCRA waste number P075; 1-Methyl-2-(3-pyridyl)pyrrolidine; NSC 5065; UNII-6M3C89ZY6R; ENT 3,424; beta-Pyridyl-alpha-N-methylpyrrolidine; 3-(2-(N-methylpyrrolidinyl))pyridine; Pyridine, 3-(1-methyl-2-pyrrolidinyl)-, (S)-; CCRIS 1637; S-(-)-Nicotine; Nicotine (compounds related to); HSDB 1107; EINECS 200-193-3; MFCD00006369; UN1654; 3-(1-Methyl-2-pyrollidinyl)pyridine; (-)-3-(N-Methylpyrrolidino)pyridine; RCRA waste no. P075; EPA Pesticide Chemical Code 056702; beta-Pyridyl-alpha-N-methyl pyrrolidine; 3-(1-Methyl-2-pyrrolidinyl)pyridine; Pyrrolidine, 1-methyl-2-(3-pyridal)-; (S)-3-(N-methylpyrrolidin-2-yl)pyridine; AI3-03424; 6M3C89ZY6R; 3-((2S)-1-methylpyrrolidin-2-yl)pyridine; CHEBI:17688; Pyridine, 3-(tetrahydro-1-methylpyrrol-2-yl); SNICXCGAKADSCV-JTQLQIEISA-N; 1-Methyl-2-(3-pyridiyl)pyrrolidine; L-Nicotine, 99+%; DSSTox_CID_930; Nicotine [for single use]; NICOTINE-L (BASE); destruxol; Pyridine, 3-((2S)-1-methyl-2-pyrrolidinyl)-; Pyridine, 3-[(2S)-1-methyl-2-pyrrolidinyl]-; DSSTox_RID_75874; DSSTox_GSID_20930; Nicotine [USAN]; (-)-1-Methyl-2-(3-pyridyl)pyrrolidine; fumeto bac; Nicabate; Niquitin; Tabazur; Exodus; Nictoine patch; Nicoderm Patch; Nicotine Patch; Nicotine-D salicylate; CAS-54-11-5; DL-tetrahydronicotyrine; Habitrol (TN); Nicotine (USP); SMR000059074; Transdermal Nicotine; Nicotine [USP:BAN]; nicotine replacement patch; methyl-2-pyrrolidinyl)pyridine; Nicotinum; delta-Nicotine; Nicotine betadex; 1-methyl-2-(3-pyridal)-pyrrolidene; Nicotine [UN1654] [Poison]; a-N-methylpyrrolidine; Campbell's nico-soap; 3-N-methylpyrrolidine; R)-(+)-nicotine; a -N-methylpyrrolidine; CHEMBL3; 1uw6; alpha-N-methylpyrrolidine; Nicotine [UN1654]; (S)-(-)--nicotine; bmse000105; (2S) 3-(1-Methyl-pyrrolidin-2-yl)-pyridine; EC 200-193-3; Nicotine polacrilex [USAN]; S-()-Nicotine-pyridine-d4; SCHEMBL20192; MLS001055457; MLS001335905; BIDD:GT0599; GTPL2585; DTXSID1020930; BDBM82070; CTK8F2098; HMS2230H17; HMS3259E16; Nicotine [UN1654] [Poison]; ZINC391812; HY-B0638; Nicotine 10 microg/mL in Methanol; Tox21_201814; Tox21_300174; Nicotine 100 microg/mL in Methanol; PDSP1_000113; PDSP1_000465; PDSP2_000463; PDSP2_000555; SBB012359; 1-methyl-2-(3-pyridal)-Pyrrolidine; AKOS016843798; 3-(1-methyl-2-pyrrolidinyl)-Pyridine; CCG-204892; CS-3999; DB00184; MCULE-8728421654; NC00577; SB12751; SDCCGMLS-0066911.P001; NCGC00090693-01; NCGC00090693-02; NCGC00090693-03; NCGC00090693-04; NCGC00090693-05; NCGC00090693-06; NCGC00090693-07; NCGC00090693-08; NCGC00090693-09; NCGC00254095-01; NCGC00259363-01; Pyrrolidine, 1-methyl-2-(3-pyridyl)-; (-)-Nicotine, >=99% (GC), liquid; CPD000059074; SAM002564224; SC-58411; ST069320; SBI-0050785.P003; CAS_29790-52-1; FT-0603228; FT-0672702; N0079; C00745; D03365; (-)-.beta.-Pyridyl-.alpha.-N-methylpyrrolidine; AB00694322_12; (-)-Nicotine, PESTANAL(R), analytical standard; 006N369; 3-[(1R)-1beta-Methylpyrrolidine-2alpha-yl]pyridine; 3-[(2S)-1-METHYL-2-PYRROLIDINYL] PYRIDINE; J-500021; SR-05000001762-5; BRD-K05395900-322-02-1; BRD-K05395900-322-04-7; Pyridine, 3-(tetrahydro-1-methylpyrrol-2-yl), (S)-; Q28086552; Pyridine, 3-(1-methyl-2-pyrrolidinyl)-, (S)- (9CI); Z1954805269; 434F7990-3240-4A43-ACEC-E6CC1E495FA0; (-)-Nicotine solution, 1.0 mg/mL, analytical standard, for drug analysis; (-)-Nicotine solution, 100 mug/mL in acetonitrile, PESTANAL(R), analytical standard; S(-)-Nicotine solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material",
"trade_name": "",
"abbrev_name": "",
"description": "nicotinic acetylcholine receptors (nAChRs) agonist; stimulant and potent parasympathomimetic alkaloid; naturally produced in the nightshade family of plants (most notably in tobacco);",
"molecular_formula": "C10H14N2",
"molecular_weight": "162.23",
"state": "liquid",
"clearance": "* 1.2 L/min [healthy adult smoker]",
"volume_of_distribution": "* 2 to 3 L/kg",
"route_of_elimination": "About 10% of the nicotine absorbed is excreted unchanged in the urine.",
"protein_binding": "Less than 5%",
"half_life": "Cotinine has a half life of 15-20 hours, while nicotine has a half life of 1-3 hours",
"absorption": "Absorption of nicotine through the buccal mucosa is relatively slow and the high and rapid rise followed by the decline in nicotine arterial plasma concentrations seen with cigarette smoking are not achieved with the inhaler. About 10% of absorbed nicotine is excreted unchanged in urine.",
"cid": "89594",
"classification": "N",
"indications": "Acute coronary syndrome; Angina pectoris; Arrhythmia; Coronary artery disease; Drug withdrawal syndrome; Eczema; Endocrine disorder; Gangrene; Hepatic failure; Hypersensitivity; Liver disorder; Local reaction; Malignant hypertension; Myocardial infarction; Nicotine dependence; Non-tobacco user; Palpitations; Peptic ulcer; Peripheral vascular disorder; Pregnancy; Prinzmetal angina; Rash generalised; Renal failure; Renal impairment; Sensitisation; Skin disorder; Sleep disorder; Thromboangiitis obliterans; Urticaria; Vasodilation procedure",
"side_effects": "Application site reaction (0.176); Pain (0.021); Abdominal pain; Acne; Arthralgia; Back pain; Confusional state; Dermatitis; Diarrhoea; Dysgeusia; Dysmenorrhoea; Dyspepsia; Dyspnoea; Feeling abnormal; Flatulence; Gastrointestinal pain; Headache; Menstrual disorder; Mouth ulceration; Musculoskeletal discomfort; Myalgia; Nausea; Oedema; Palpitations; Paraesthesia; Pruritus; Rash; Stomatitis; Tongue disorder; Tooth disorder; Vertigo",
"atc_codes": "N07BA01",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T002",
"T408"
],
"function": [
"F0108",
"F0201",
"F02010203",
"F02010204",
"F02010205",
"F0303",
"F0308"
],
"references": [
"RC01286",
"RC01287",
"RC01288",
"RC01289",
"RC03700",
"RC04097",
"RC04221",
"RC04345",
"RC04469",
"RC04593"
]
},
{
"compound_ID": "D0092",
"name": "Nimesulide",
"synonyms": "nimesulide; 51803-78-2; N-(4-Nitro-2-phenoxyphenyl)methanesulfonamide; Mesulid; Aulin; Flogovital; Sulidene; Nimed; 4-NITRO-2-PHENOXYMETHANESULFONANILIDE; R-805; Nisulid; Nimesulidum [INN-Latin]; Nimesulida [INN-Spanish]; R 805; UNII-V4TKW1454M; 4-Nitro-2-phenoxy-methanesulfonanilide; 4'-Nitro-2'-phenoxymethanesulfonanilide; Methanesulfonamide, N-(4-nitro-2-phenoxyphenyl)-; EINECS 257-431-4; 4'-Nitro-2'-phenoxymethansulfonanilid; BRN 2421175; CHEMBL56367; MLS000069680; V4TKW1454M; Methanesulfonanilide, 4'-nitro-2'-phenoxy-; CHEBI:44445; HYWYRSMBCFDLJT-UHFFFAOYSA-N; NCGC00015725-02; SMR000058484; CAS-51803-78-2; DSSTox_CID_17250; DSSTox_RID_79316; DSSTox_GSID_37250; W-105866; C13H12N2O5S; Antifloxil; Nimesulida; Nimesulidum; Guaxan; NIM; Nimesulide [BAN:INN]; Nimesulide [INN:BAN]; SR-01000000218; Aldoron; Nimedex; Orthobid; CCRIS 8225; Nise Gel; Nimesulide,(S); Prestwick_618; Spectrum_001577; Nimesulide (JAN/INN); Opera_ID_1247; Prestwick0_000194; Prestwick1_000194; Prestwick2_000194; Prestwick3_000194; Spectrum2_001541; Spectrum3_001576; Spectrum4_000178; Spectrum5_000964; Lopac-N-1016; N-(4-nitro-2-phenoxy-phenyl)methanesulfonamide; Lopac0_000855; SCHEMBL24882; BSPBio_000147; BSPBio_001103; BSPBio_003112; KBioGR_000443; KBioGR_000695; KBioSS_000443; KBioSS_002057; MLS001148268; DivK1c_000693; SPECTRUM1503231; SPBio_001382; SPBio_002068; N-(4-nitro-2-phenoxyphenyl); BPBio1_000163; GTPL7401; NIM-03; DTXSID3037250; BCBcMAP01_000034; HMS502C15; KBio1_000693; KBio2_000443; KBio2_002057; KBio2_003011; KBio2_004625; KBio2_005579; KBio2_007193; KBio3_000825; KBio3_000826; KBio3_002612; NINDS_000693; Bio2_000382; Bio2_000862; HMS1362G05; HMS1568H09; HMS1792G05; HMS1922K17; HMS1990G05; HMS2089B14; HMS2095H09; HMS2234K19; HMS3262L11; HMS3269G17; HMS3371J19; HMS3403G05; HMS3414P09; HMS3649A04; HMS3655D13; HMS3678P07; HMS3712H09; Pharmakon1600-01503231; BCP10076; HY-B0363; ZINC4617749; Tox21_110207; Tox21_301850; Tox21_500855; BDBM50056999; CCG-39319; CN0038; EI-287; MFCD00079470; NSC758412; s2040; STL018679; AKOS015897356; Tox21_110207_1; AC-4524; CS-2420; DB04743; KS-1277; LP00855; MCULE-4217888990; NSC-758412; IDI1_000693; IDI1_002137; NCGC00015725-01; NCGC00015725-03; NCGC00015725-04; NCGC00015725-05; NCGC00015725-06; NCGC00015725-07; NCGC00015725-08; NCGC00015725-09; NCGC00015725-10; NCGC00015725-11; NCGC00015725-12; NCGC00015725-13; NCGC00015725-15; NCGC00015725-16; NCGC00021842-03; NCGC00021842-04; NCGC00021842-05; NCGC00021842-06; NCGC00021842-07; NCGC00021842-08; NCGC00255661-01; NCGC00261540-01; AK163559; LS-90290; SC-17925; SBI-0050831.P003; AB2000444; DB-052029; AB00052332; EU-0100855; FT-0630650; N0984; ST51015069; SW196785-3; (methylsulfonyl)(4-nitro-2-phenoxyphenyl)amine; D01049; N 1016; Q20994; AB00052332-16; AB00052332_17; AB00052332_18; n-(4-nitro-2-phenoxy-phenyl)-methanesulfonamide; N-[4-nitro-2-(phenoxy)phenyl]methanesulfonamide; 803N782; A828786; SR-01000000218-2; SR-01000000218-6; SR-01000000218-7; BRD-K76775527-001-06-2; BRD-K76775527-001-18-7; SR-01000000218-11; Methanesulfonamide, N-(4-nitro-2-phenoxyphenyl)- (9CI); Nimesulide, European Pharmacopoeia (EP) Reference Standard; Nimesulide, Pharmaceutical Secondary Standard; Certified Reference Material; Nimesulide for peak identification, European Pharmacopoeia (EP) Reference Standard",
"trade_name": "",
"abbrev_name": "",
"description": "analgesics; a relative COX-2 selective, non-steroidal anti-inflammatory drug (NSAID)",
"molecular_formula": "C13H12N2O5S",
"molecular_weight": "308.31",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "Renal (50%), fecal (29%)",
"protein_binding": ">97.5%",
"half_life": "1.8–4.7 hours",
"absorption": "Rapidly absorbed following oral administration.",
"cid": "4495",
"classification": "M",
"indications": "",
"side_effects": "",
"atc_codes": "M02AA26; M01AX17",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T002",
"T387001",
"T387002",
"T408"
],
"function": [
"F01",
"F010401",
"F0105",
"F0108",
"F0201",
"F020101",
"F02010102",
"F02010103",
"F02010202",
"F0206",
"F021202",
"F0221",
"F0303",
"F05",
"F0504",
"F070105",
"F070106"
],
"references": [
"RC00688",
"RC00689",
"RC00690",
"RC00691",
"RC00700",
"RC00701",
"RC00938",
"RC00989",
"RC03606",
"RC03607",
"RC03608",
"RC03609",
"RC02035",
"RC02656",
"RC03277",
"RC04100",
"RC04224",
"RC04348",
"RC04472",
"RC04596",
"RC04777",
"RC04790",
"RC04803",
"RC04816",
"RC04829",
"RC04842",
"RC04855",
"RC04868"
]
},
{
"compound_ID": "D0093",
"name": "Oxaprozin",
"synonyms": "oxaprozin; 21256-18-8; Daypro; Alvo; Oxaprozine; Oxaprozinum; 3-(4,5-Diphenyl-1,3-oxazol-2-yl)propanoic acid; 3-(4,5-Diphenyloxazol-2-yl)propanoic acid; Deflam; Oxaprozina; Voir; Oxaprozine [INN-French]; Oxaprozinum [INN-Latin]; WY-21743; Oxaprozina [INN-Spanish]; 4,5-Diphenyl-2-oxazolepropionic acid; WY-21,743; 4,5-Diphenyl-2-oxazolepropanoic acid; 2-Oxazolepropanoic acid, 4,5-diphenyl-; WY 21743; NSC310839; 3-(4,5-Diphenyl-2-oxazolyl)propenoic acid; beta-(4,5-Diphenyloxazol-2-yl)propionic acid; UNII-MHJ80W9LRB; MHJ80W9LRB; NSC 310839; CHEMBL1071; CHEBI:7822; 3-(diphenyl-1,3-oxazol-2-yl)propanoic acid; C18H15NO3; 2-OXAZOLEPROPIONIC ACID, 4,5-DIPHENYL-; OFPXSFXSNFPTHF-UHFFFAOYSA-N; .beta.-(4,5-Diphenyloxazol-2-yl)propionic acid; EINECS 244-296-1; NSC-310839; BRN 1083168; Danoprox; Dayrun; 3-(4,5-Diphenyl-2-oxazolyl)propanoic acid; CAS-21256-18-8; DSSTox_CID_25118; DSSTox_RID_80684; DSSTox_GSID_45118; Actirin; Xopane; SMR000058286; Daypro (TN); SR-01000076053; oxaprosin; Durapro; Duraprost; Oxaprozi; Oxapro; Walix; Oxaprozin, solid; Oxaprozin [USAN:BAN:INN:JAN]; Oxaprozin,(S); MFCD00215977; NCI310839; 4, 5-Diphenyl-2-oxazolepropionic acid; Oxaprozinum;Wy21743; Maybridge1_008800; Prestwick0_001060; Prestwick1_001060; Prestwick2_001060; Prestwick3_001060; Spectrum2_001696; Spectrum3_001078; Spectrum4_001231; Lopac-O-9637; O 9637; SCHEMBL3286; NCIStruc1_000799; NCIStruc2_000787; BIDD:PXR0149; Lopac0_000944; Oprea1_509470; BSPBio_001020; BSPBio_002696; KBioGR_001722; MLS000759535; MLS001424072; BIDD:GT0438; SPECTRUM1505267; SPBio_001652; SPBio_002940; BPBio1_001122; GTPL7252; Oxaprozin (JP17/USAN/INN); DTXSID1045118; CTK7J3117; HMS566H22; HSDB 7586; KBio3_001916; KS-00000ULR; HMS1571C22; HMS1922P17; HMS2051L15; HMS2093O08; HMS2098C22; HMS3262N10; HMS3393L15; HMS3652H17; HMS3715C22; Pharmakon1600-01505267; Wy21743; BCP28431; HY-B0808; Tox21_110059; Tox21_500944; 2-Oxazolepropanoic acid,5-diphenyl-; 2-Oxazolepropionic acid,5-diphenyl-; ANW-63377; BDBM50002861; CCG-36508; NCGC00014711; NSC758949; s4230; SBB053166; ZINC49643479; 4,5-diphenyloxazole-2-propanoic acid; 4,5-Diphenyloxazole-2-propionic acid; AKOS000206807; Oxaprozin [USAN:USP:INN:BAN:JAN]; Tox21_110059_1; CS-7975; DB00991; KS-5196; LP00944; MCULE-7099031811; NC00214; NSC-758949; NCGC00014711-01; NCGC00014711-02; NCGC00014711-03; NCGC00014711-04; NCGC00014711-05; NCGC00014711-06; NCGC00014711-07; NCGC00014711-08; NCGC00014711-09; NCGC00014711-10; NCGC00014711-11; NCGC00014711-14; NCGC00014711-15; NCGC00094249-01; NCGC00094249-02; NCGC00094249-03; NCGC00094249-04; NCGC00094249-05; NCGC00094249-06; NCGC00094249-07; NCGC00261629-01; AC-26512; AK-84489; CPD000058286; NCI60_002681; SAM001246770; SC-13926; SBI-0050918.P002; AB0011812; LS-100216; TC-152122; 3-(4,5-Diphenyl-2-oxazolyl)propionic acid; AB00514024; B1804; EU-0100944; FT-0638104; O0377; ST50949623; SW197319-4; 3-(4, 5-Diphenyl-2-oxazolyl)propenoic acid; EN300-25629; 3-(4,5-Diphenyl-oxazol-2-yl)-propionic acid; 4.5-Diphenyl-2-oxazolepropanoic acid|||Daypro; C07356; D00463; J10396; K-6109; AB00514024_08; AB00514024_09; 256O188; A815225; J-013955; Q1749609; SR-01000076053-1; SR-01000076053-3; SR-01000076053-7; SR-01000076053-9; 3-(4,5-Diphenyl-1,3-oxazol-2-yl)propanoic acid #; BRD-K25394294-001-05-7; BRD-K25394294-001-08-1; Z217102860; Oxaprozin, United States Pharmacopeia (USP) Reference Standard",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C18H15NO3",
"molecular_weight": "293.3",
"state": "solid",
"clearance": "",
"volume_of_distribution": "* 11 to 17 L/70 kg",
"route_of_elimination": "Oxaprozin is expected to be excreted in human milk based on its physical-chemical properties; however, the amount of oxaprozin excreted in breast milk has not been evaluated. Approximately 95% of oxaprozin is metabolized by the liver. Approximately 5% of the oxaprozin dose is excreted unchanged in the urine. Sixty-five percent (65%) of the dose is excreted in the urine and 35% in the feces as metabolite.\nBiliary excretion of unchanged oxaprozin is a minor pathway. Several oxaprozin metabolites have been identified in human urine or feces.",
"protein_binding": ">99.5% bound to albumin",
"half_life": "54.9 hours",
"absorption": "Oxaprozin is 95% absorbed after oral administration. Food may reduce the rate of absorption of oxaprozin, but the extent of absorption is unchanged. Antacids do not significantly affect the extent and rate of oxaprozin absorption.",
"cid": "4614",
"classification": "M",
"indications": "Arthritis; Juvenile idiopathic arthritis; Osteoarthritis; Rheumatoid arthritis",
"side_effects": "",
"atc_codes": "M01AE12",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0094",
"name": "Pentostatin",
"synonyms": "pentostatin; Deoxycoformycin; Nipent; 53910-25-1; 2'-Deoxycoformycin; Covidarabine; CO-Vidarabine; Pentostatina; Pentostatine; Pentostatinum; Vidarbine; 2'-DCF; Co-V; PD-ADI; UNII-395575MZO7; 2'-Dexoycoformycin; Vira A deaminase inhibitor; YK-176; CI-825; PD-81565; NSC-218321; (R)-Deoxycoformycin; 395575MZO7; (8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H,6H,7H,8H-imidazo[4,5-d][1,3]diazepin-8-ol; NCGC00182045-01; 8R-2'-Deoxycoformycin; (R)-2'-Deoxycoformycin; Deaminase inhibitor (PD); dCF; NSC 218321; Pentostatine [INN-French]; Pentostatinum [INN-Latin]; Pentostatina [INN-Spanish]; (8R)-3-(2-deoxy-beta-D-erythro-pentofuranosyl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol; HSDB 6547; Pentostatin [USAN:INN:BAN:JAN]; BRN 1223097; PD 81565; (R)-3-(2-Deoxy-beta-D-erythro-pentofuranosyl)-3,6,7,8-tetrahydroimidazo(4,5-d)(1,3)diazepin-8-ol; CL 67310465; Deaminase, inhibitor for adenosine arabinoside; Pentostatn; Pentostatin (JAN/USAN/INN); (R)-3-(2-Deoxy-.beta.-D-erythro-pentofuranosyl)-3,6,7,8-tetrahydroimidazo(4,5-d)(1,3)diazepin-8-ol; (R)-3-(2-deoxy-beta-D-erythro-pentofuranosyl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol; Pentostatin (PTN); DSSTox_CID_3436; CL-67310465; Pentostatin(Deoxycoformycin); SCHEMBL2817; CHEMBL1580; DSSTox_RID_77027; DSSTox_GSID_23436; BIDD:GT0136; GTPL4805; DTXSID2023436; BDBM22925; Pentostatin, >=95% (HPLC); FPVKHBSQESCIEP-JQCXWYLXSA-N; BDBM223291; HY-A0006; Imidazo(4,5-d)(1,3)diazepin-8-ol, 3-(2-deoxy-beta-D-erythro-pentofuranosyl)-3,6,7,8-tetrahydro-, (R)-; ZINC3806262; Tox21_113417; AKOS024456918; AKOS032949742; API0005275; CS-0374; DB00552; PB12063; NCGC00388420-02; Imidazo[4,5-d][1,3]diazepin-8-ol, 3-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-3,4,7,8-tetrahydro-, (8R)-; AB0010579; CAS-53910-25-1; A3708; C02267; D00155; EN300-222177; Q-4464; 910P251; Q425470; SR-01000883935; J-523899; SR-01000883935-1; Z2216208604; (8R)-3-(2-Deoxy-?-D-erythro-pentofuranosyl)-3,4,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol; (8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H,4H,7H,8H-imidazo[4,5-d][1,3]diazepin-8-ol; (8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-7,8-dihydro-6H-imidazo[4,5-d][1,3]diazepin-8-ol; (R,Z)-3-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C11H16N4O4",
"molecular_weight": "268.27",
"state": "solid",
"clearance": "* 68 mL/min/m2",
"volume_of_distribution": "",
"route_of_elimination": "In man, following a single dose of 4 mg/m2 of pentostatin infused over 5 minutes, approximately 90% of the dose was excreted in the urine as unchanged pentostatin and/or metabolites as measured by adenosine deaminase inhibitory activity.",
"protein_binding": "0.04",
"half_life": "5.7 hours (with a range between 2.6 and 16 hrs)",
"absorption": "Not absorbed orally, crosses blood brain barrier.",
"cid": "439693",
"classification": "L",
"indications": "Hairy cell leukaemia",
"side_effects": "Candida infection (0.02); Urogenital disorder (0.15); Abdominal pain; Abscess; Anaemia; Arthralgia; Asthenia; Bacterial infection; Body temperature increased; Bronchitis; Cellulitis; Chills; Conjunctivitis; Cough; Decreased appetite; Dermatitis; Diarrhoea; Dyspnoea; Fatigue; Foetor hepaticus; Gastrointestinal pain; Headache; Hepatocellular injury; Herpes simplex; Herpes zoster; Hyperhidrosis; Hypersensitivity; Infection; Leukopenia; Liver disorder; Liver function test abnormal; Lung disorder; Musculoskeletal discomfort; Myalgia; Nausea; Nervous system disorder; Neurotoxicity; Osteomyelitis; Pain; Pharyngitis; Pneumonia; Pruritus; Rash; Rhinitis; Sepsis; Sinusitis; Skin disorder; Stomatitis; Thrombocytopenia; Upper respiratory tract infection; Viral infection; Vomiting",
"atc_codes": "L01XX08",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0095",
"name": "Pergolide",
"synonyms": "pergolide; Permax; Pergolida; 66104-22-1; Pergolidum; Pergolidum [INN-Latin]; Pergolida [INN-Spanish]; Pergolide [INN:BAN]; UNII-24MJ822NZ9; LY-127809; Permax (TN); CHEMBL531; (8beta)-8-[(methylsulfanyl)methyl]-6-propylergoline; CHEBI:63617; 24MJ822NZ9; Ergoline, 8-((methylthio)methyl)-6-propyl-, (8beta)-; CHEMBL1275; Pergolide (INN); (2R,4R,7R)-4-[(methylsulfanyl)methyl]-6-propyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),9,12,14-tetraene; LY-127,809; NCGC00017366-04; TNP00315; SR-01000721840; Spectrum_001647; Prestwick0_000295; Prestwick1_000295; Prestwick2_000295; Prestwick3_000295; Spectrum2_001970; Spectrum3_001588; Spectrum4_000835; Spectrum5_001649; Biomol-NT_000025; GTPL48; (8beta)-8-[(methylthio)methyl]-6-propylergoline; Lopac0_000984; SCHEMBL26921; BSPBio_000230; BSPBio_003156; KBioGR_001409; KBioSS_002127; cid_47811; BIDD:GT0177; DivK1c_000442; SPBio_002099; SPBio_002449; BPBio1_000254; BPBio1_001211; DTXSID2023438; KBio1_000442; KBio2_002127; KBio2_004695; KBio2_007263; KBio3_002656; LY 141B; NINDS_000442; YEHCICAEULNIGD-MZMPZRCHSA-N; HMS2089C18; BCP18331; ZINC3786466; BDBM50017543; BDBM50028421; CCG-205064; DB01186; IDI1_000442; NCGC00017366-02; NCGC00017366-03; NCGC00017366-05; NCGC00017366-06; NCGC00017366-10; NCGC00142538-01; NCGC00142538-02; NCGC00142538-03; (6aR,9R,10aR)-9-(Methylthiomethyl)-7-propyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline; CC-33590; LS-64479; ST057534; SBI-0050957.P003; [2-(1H-Indol-4-yl)-ethyl]-methyl-amine; P2200; C07425; D-8beta-((Methylthio)methyl)-6-propylergoline; D08339; AB00053740-13; AB00053740_14; AB00053740_15; 104P221; C-19410; Q415752; SR-01000721840-8; BRD-K60770992-001-01-8; BRD-K60770992-066-05-2; BRD-K60770992-066-15-1; 9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-fg]quinoline; (6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-fg]quinolin-7-ium; (6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-fg]quinoline; 5-Bromo-7-methyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinoline-9-carboxylic acid (10b-hydroxy-5-isobutyl-2-isopropyl-3,6-dioxo-octahydro-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-amide; 9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-fg]quinolin-7-ium(Pergolide); 9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-fg]quinoline(pergolide); 9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-fg]quinoline, mesylate (Pergolide); 9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-fg]quinoline; compound with methanesulfonic acid; InChI=1/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C19H26N2S",
"molecular_weight": "314.5",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "The major route of excretion is the kidney.",
"protein_binding": "0.9",
"half_life": "27 hours",
"absorption": "Significant amount may be absorbed (evidence on bioavailability still lacking).",
"cid": "47811",
"classification": "N",
"indications": "Dyskinesia; Parkinson's disease; Parkinsonism",
"side_effects": "Acute coronary syndrome (0.011); Personality disorder (0.021); Abdominal pain; Abnormal dreams; Akathisia; Akinesia; Anxiety; Arthralgia; Asthenia; Back pain; Chest pain; Chills; Confusional state; Constipation; Decreased appetite; Depression; Dermatitis; Diarrhoea; Diplopia; Dizziness; Dysgeusia; Dyskinesia; Dyspepsia; Dyspnoea; Extrapyramidal disorder; Eye disorder; Face oedema; Feeling abnormal; Gait disturbance; Gastrointestinal pain; Hallucination; Headache; Hiccups; Hyperhidrosis; Hypertension; Hypertonia; Infection; Influenza; Insomnia; Loss of consciousness; Muscle twitching; Musculoskeletal discomfort; Nausea; Neck pain; Oedema; Oedema peripheral; Orthostatic hypotension; Pain; Paraesthesia; Pollakiuria; Psychotic disorder; Rash; Rhinitis; Shock; Somnolence; Speech disorder; Syncope; Tremor; Urinary tract infection; Visual impairment; Weight increased",
"atc_codes": "N04BC02",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0096",
"name": "Perhexiline",
"synonyms": "PERHEXILINE; Perhexilene; 2-(2,2-Dicyclohexylethyl)piperidine; 6621-47-2; Perhexilinum; Perhexilina; Perhexilinum [INN-Latin]; Perhexilina [INN-Spanish]; (+)-2-(2,2-Dicyclohexylethyl)piperidine; (-)-2-(2,2-Dicyclohexylethyl)piperidine; Perhexiline [INN:BAN]; Piperidine, 2-(2,2-dicyclohexylethyl)-; 39648-48-1; EINECS 229-569-5; CHEMBL75880; CHEBI:35553; CYXKNKQEMFBLER-UHFFFAOYSA-N; 39648-47-0; perhexilline; Perhexiline (INN); 2-[2,2-DICYCLOHEXYLETHYL]PIPERIDINE MALEATE SALT; EINECS 252-426-3; EINECS 254-558-7; EINECS 254-559-2; Spectrum_000013; (1)-2-(2,2-Dicyclohexylethyl)piperidine; Prestwick0_000286; Prestwick1_000286; Prestwick2_000286; Prestwick3_000286; Spectrum2_001539; Spectrum3_001579; Spectrum4_000173; Spectrum5_001084; Oprea1_365504; BSPBio_000192; BSPBio_003118; KBioGR_000685; KBioSS_000353; DivK1c_000542; SCHEMBL114894; SPBio_001358; SPBio_002411; BPBio1_000212; DTXSID7023439; BDBM61402; cid_5284439; CTK1C5099; KBio1_000542; KBio2_000353; KBio2_002921; KBio2_005489; KBio3_002618; NINDS_000542; DB01074; MCULE-1263095324; ACM39648470; ACM39648481; IDI1_000542; NCGC00018261-02; NCGC00018261-05; 35193-73-8; (?)-2-(2,2-Dicyclohexylethyl)piperidine; SBI-0051794.P002; LS-176505; AB00053656; D08340; 2-(2,2-dicyclohexylethyl)piperidine;maleic acid; AB00053656_22; Q1232737; (Z)-2-butenedioic acid;2-(2,2-dicyclohexylethyl)piperidine; (Z)-but-2-enedioic acid;2-(2,2-dicyclohexylethyl)piperidine; Piperidine, 2-(2,2-dicyclohexylethyl)-, (2Z)-2-butenedioate (1:1)",
"trade_name": "",
"abbrev_name": "",
"description": "prophylactic antianginal agent; coronary vasodilator",
"molecular_formula": "C19H35N",
"molecular_weight": "277.5",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "Perhexiline and its metabolites are highly protein bound (>90%).",
"half_life": "Variable and non-linear. Some reports show a half-life of 2-6 days, others indicate it could be as high as 30 days.",
"absorption": "Well absorbed (>80%) from the gastrointestinal tract following oral administration.",
"cid": "4746",
"classification": "C",
"indications": "Coronary artery disease; Diabetes mellitus",
"side_effects": "",
"atc_codes": "C08EX02",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T002",
"T021",
"T021001",
"T021002",
"T022",
"T027001",
"T028",
"T029",
"T030",
"T034",
"T211",
"T212",
"T394",
"T408"
],
"function": [
"F010503",
"F0108",
"F0201",
"F02010103",
"F02010104",
"F020103",
"F020104",
"F020601",
"F02060101",
"F02060201",
"F02110304",
"F0303"
],
"references": [
"RC00811",
"RC00812",
"RC00813",
"RC00814",
"RC00815",
"RC00816",
"RC00817",
"RC00818",
"RC00819",
"RC00820",
"RC00821",
"RC00824",
"RC00825",
"RC00826",
"RC00827",
"RC00828",
"RC00829",
"RC00830",
"RC00831",
"RC00832",
"RC00833",
"RC00834",
"RC00835",
"RC00836",
"RC00838",
"RC00840",
"RC00841",
"RC00842",
"RC00843",
"RC00844",
"RC00845",
"RC00846",
"RC00847",
"RC00848",
"RC00849",
"RC00850",
"RC00851",
"RC00852",
"RC00853",
"RC00854",
"RC00855",
"RC00856",
"RC00857",
"RC00858",
"RC00859",
"RC00860",
"RC00861",
"RC00862",
"RC00863",
"RC00864",
"RC00865",
"RC00866",
"RC00868",
"RC00869",
"RC00872",
"RC00873",
"RC00880",
"RC00945",
"RC03536",
"RC03537",
"RC03547",
"RC03548",
"RC03776",
"RC03819",
"RC04105",
"RC04229",
"RC04353",
"RC04477",
"RC04601",
"RC05005",
"RC05015",
"RC05025",
"RC05039",
"RC05053"
]
},
{
"compound_ID": "D0097",
"name": "Phenformin",
"synonyms": "PHENFORMIN; N-Phenethylbiguanide; 114-86-3; Phenformine; Fenformin; Fenformina; Phenethyldiguanide; Pedg; Phenylethylbiguanide; Cronoformin; Fenfoduron; Fenormin; Glukopostin; Phenformix; Debeone; Diabis; Dibiraf; Dibotin; Glyphen; Retardo; Db-retard; beta-PEBG; Lentobetic; Normoglucina; Phenforminum; Azucaps; DB Comb; Debinyl; Feguanide; Insoral; Dibein; 1-Phenethylbiguanide; D Bretard; beta-Phenethylbiguanide; Fenformina [INN-Spanish]; Phenformine [INN-French]; Phenforminum [INN-Latin]; N-(2-Phenylethyl)imidodicarbonimidic diamide; Biguanide, 1-phenethyl-; Imidodicarbonimidic diamide, N-(2-phenylethyl)-; beta-Phenethybiguanide; Phenformin [INN:BAN]; W 32; NCI-C01741; UNII-DD5K7529CE; CCRIS 500; N'-beta-Phenethylformamidinylliminourea; CHEBI:8064; HSDB 3154; N'-beta-Fenetilformamidiniliminourea [Italian]; EINECS 204-057-4; BRN 1977317; N-Phenethylbiguanide hydrochloride; CHEMBL170988; DD5K7529CE; ICFJFFQQTFMIBG-UHFFFAOYSA-N; 2-(N-phenethylcarbamimidoyl)guanidine; Phenformine HCl; 1-(diaminomethylidene)-2-(2-phenylethyl)guanidine; N-(2-phenylethyl)imidodicarbonimidic diamide hydrochloride; Phenformin (BAN); N'-beta-Fenetilformamidiniliminourea; NCGC00016543-01; CAS-834-28-6; amino{imino[(2-phenylethyl)amino]methyl}carboxamidine; Dipar (Salt/Mix); Imidodicarbonimidic diamide, N-(2-phenylethyl)-, hydrochloride; .beta.-PEBG; Meltrol (Salt/Mix); .beta.-Phenethylbiguanide; Prestwick0_000179; Prestwick1_000179; Prestwick2_000179; Prestwick3_000179; SCHEMBL8424; BSPBio_000077; KBioGR_002392; KBioSS_002397; 4-12-00-02472 (Beilstein Handbook Reference); MLS006011899; SPBio_001998; BPBio1_000085; DTXSID1023449; SCHEMBL10325620; SCHEMBL17300524; KBio2_002392; KBio2_004960; KBio2_007528; KBio3_002871; KS-00000EKW; cMAP_000038; HMS3604G03; ALBB-026048; PHENFORMIN (SEE ALSO PHENFORMIN HYDROCHLORIDE 834-28-6); ZINC5851063; BBL010845; BDBM50237608; BDBM50240908; LS-569; SBB072819; STK635703; 1-carbamimidoyl-3-phenethyl-guanidine; AKOS005567415; N'-.beta.-Fenetilformamidiniliminourea; API0009066; DB00914; MCULE-1254555434; TRA0068161; NCGC00016543-02; NCGC00016543-03; NCGC00016543-04; NCGC00016543-05; NCGC00016543-08; CS-11859; M819; N'-.beta.-Phenethylformamidinylliminourea; SMR004703510; SY031759; N-(2-Phenylethyl)dicarbonimidic diamide #; SBI-0206879.P001; N-(2-Phenylethyl)triimidodicarbonic diamide; ST45029292; MFCD00242966 (95%); C07673; D08351; 1-carbamimidamido-N-(2-phenylethyl)methanimidamide; Q753100; N''''-{amino[(2-phenylethyl)imino]methyl}guanidine; BRD-K11399644-003-03-0; N-(2-phenylethyl)imidodicarbonimidic diamide(Phenformin); N''''-[(E)-amino(imino)methyl]-N-(2-phenylethyl)guanidine; N-amino(imino)methyl-N-phenethyliminomethanediamine(Phenformin); 8CV",
"trade_name": "",
"abbrev_name": "",
"description": "Antidiabetics; biguanide hypoglycemic agent",
"molecular_formula": "C10H15N5",
"molecular_weight": "205.26",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "8249",
"classification": "A",
"indications": "",
"side_effects": "",
"atc_codes": "A10BD01; A10BA01",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T020",
"T387",
"T400"
],
"function": [
"F01",
"F0108",
"F02010102",
"F02010103",
"F02010201",
"F02010202",
"F020103",
"F02040101",
"F020403",
"F021201",
"F05"
],
"references": [
"RC00762",
"RC00763",
"RC00766",
"RC00769",
"RC00772",
"RC00775",
"RC00779",
"RC00783",
"RC00786",
"RC00789",
"RC00792",
"RC00795",
"RC00800",
"RC00805",
"RC00810",
"RC00946",
"RC00991",
"RC03630",
"RC04948",
"RC04981",
"RC04986",
"RC04987"
]
},
{
"compound_ID": "D0098",
"name": "Pioglitazone",
"synonyms": "Pioglitazone; 111025-46-8; Actos; Pioglitazona; Pioglitazonum; Glustin; Zactos; 105355-27-9; Pioglitazonum [INN-Latin]; Pioglitazona [INN-Spanish]; Duetact; U 72107; Pioglitazone [INN:BAN]; 5-(4-(2-(5-ethylpyridin-2-yl)ethoxy)benzyl)thiazolidine-2,4-dione; AD-4833; CHEBI:8228; Pioglitazone (Actos); HSDB 7322; 5-{4-[2-(5-ethylpyridin-2-yl)ethoxy]benzyl}-1,3-thiazolidine-2,4-dione; Actos (TN); 105390-47-4; C19H20N2O3S; 5-[4-[2-(5-ETHYL-2-PYRIDYL)ETHOXY]BENZYL]-2,4-THIAZOLIDINEDIONE; U 72107A; 5-[[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione; AK-56326; 5-(4-(2-(5-ethyl-2-pyridyl)ethoxy)benzyl)-2,4-thiazolidinedione; 5-[4-[2-(5-Ethyl-2-pyridyl)ethoxy]benzyl]thiazolidine-2,4-dione; 2,4-thiazolidinedione, 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-; Pioglitazone [BAN:INN]; Piozone; Pioglu; U-72107; 2,4-Thiazolidinedione, 5-((4-(2-(5-ethyl-2-pyridinyl)ethoxy)phenyl)methyl)-, (+-)-; pioglitazone (INN); U72,107A; 5-{4-[2-(5-ethyl-2-pyridyl)ethoxy]benzyl}-2,4-thiazolidinedione; SR-01000763737; pioglitazone-actos; 5-({4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione; HS-0047; Spectrum_001623; Spectrum2_001679; Spectrum3_001002; Spectrum4_001130; Spectrum5_001480; Spectrum5_002067; SCHEMBL4121; BSPBio_002723; KBioGR_001619; KBioSS_002103; MLS006011848; SPBio_001897; GTPL2694; DTXSID3037129; CTK5B5876; KBio2_002103; KBio2_004671; KBio2_007239; KBio3_001943; KS-00000XMH; HYAFETHFCAUJAY-UHFFFAOYSA-N; HMS2089H14; HMS3651D09; HMS3712E16; Pharmakon1600-01504401; ACT02635; BCP26474; BBL029068; BDBM50103521; NSC758876; s2590; STL309607; STL373406; (+/-)-5-[p-[2-(ethyl-2-pyridyl)ethoxy]benzyl]-2,4-thiazolidinedione; 5-[[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methyl]thiazolidine-2,4-dione; AKOS015894953; AKOS022109420; AC-1021; API0009130; CCG-220107; CS-1700; DB01132; MCULE-2346786634; NSC-758876; RTX-010718; SB17323; (+/-)-5-[[4-[2-(5-Ethyl-2-pyridinyl)-ethoxy]phenyl]methyl]-2,4-thiazolidinedione; NCGC00163128-01; NCGC00163128-02; NCGC00163128-03; NCGC00163128-04; NCGC00163128-05; NCGC00163128-06; NCGC00163128-07; HY-13956; SC-14147; SMR002204015; SBI-0206791.P001; AB0004710; AB1004597; AB2000683; DB-027350; LS-151327; FT-0601906; FT-0645030; ST24044191; SW197561-3; C07675; D08378; J10289; K-0703; AB00698454-10; AB00698454_11; AB00698454_12; AB00698454_13; 355P279; A801204; Q417765; J-002506; J-516181; SR-01000763737-5; BRD-A48430263-003-02-4; BRD-A48430263-003-06-5; 5-[4-[2-(5-ethyl-2-pyridyl) ethoxy]benzyl]-2,4-thiazolidinedione; 5-[4-[2-(5-ethyl-2-pyridyl)eth-oxy]benzyl]-2,4-thiazolidinedione; 5-{4-[2-(5-ethyl-2-pyridyl)ethoxy]benzyl}-2,4thiazolidinedione; 5-(4-(2-(5-ethylpyridin-2-yl)ethoxy)benzyl)-thiazolidine-2,4-dione; 5-[[4-[2-(5-Ethyl-2-pyridinyl)ethoxy]phenyl]methyl-2,4-thiazolidinedione; 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]thiazolidine-2,4-dione; 5-[[4-[2-(5-ethyl-2-pyridyl)ethoxy] phenyl]methyl]-2,4-thiazolidinedione; 2,4-Thiazolidinedione, 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]- (9CI); 2,4-Thiazolidinedione, 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-, (+/-)-; 5-[[4-[2-[(5-ethyl-2-pyridyl)]ethoxy]phenyl]methyl]thiazolidine- 2,4-dione; 5-{4-[2-(5-ethylpyridin-2-yl)ethoxy]benzyl}-4-hydroxy-1,3-thiazol-2(5H)-one; [( inverted exclamation markA)-5-[[4-[2-(5-ethyl-2-pyridinyl) ethoxy] phenyl] methyl]-2,4-] thiazolidinedione monohydrochlorid; [()-5-[[4-[2-(5-ethyl-2-pyridinyl) ethoxy] phenyl] methyl]-2,4-] thiazolidinedione monohydrochlorid",
"trade_name": "Actos",
"abbrev_name": "",
"description": "anti-diabetic thiazolidinediones (TZDs); medication used to treat type 2 diabetes",
"molecular_formula": "C19H20N2O3S",
"molecular_weight": "356.4",
"state": "solid",
"clearance": "The apparent clearance of orally administered pioglitazone is 5 - 7 L/h [FDA Label].",
"volume_of_distribution": "0.63 ± 0.41 L/kg [FDA Label]",
"route_of_elimination": "Following oral administration, approximately 15% to 30% of the pioglitazone dose is recovered in the urine. Renal elimination of pioglitazone is negligible, and the drug is excreted primarily as metabolites and their conjugates. It is presumed that most of the oral dose is excreted into the bile either unchanged or as metabolites and eliminated in the feces [FDA Label].",
"protein_binding": "Pioglitazone is extensively protein bound (> 99%) in human serum, principally to serum albumin. Pioglitazone also binds to other serum proteins, but with lower affinity [FDA Label].",
"half_life": "The mean serum half-life of pioglitazone and its metabolites (M-III and M-IV) range from 3 to 7 hours and 16 to 24 hours, respectively [FDA Label].",
"absorption": "Following oral administration of pioglitazone, peak concentrations of pioglitazone were observed within 2 hours. Food slightly delays the time to peak serum concentration (T max) to 3 to 4 hours, but does not alter the extent of absorption (AUC). Steady state concentrations are achieved after 7 days of once daily administration of pioglitazone [FDA Label].",
"cid": "4829",
"classification": "A",
"indications": "Anovulatory cycle; Carcinogenicity; Cardiac disorder; Cardiac failure; Cardiac failure congestive; Diabetes mellitus; Diabetic ketoacidosis; Foetor hepaticus; Hepatocellular injury; Insulin resistance; Liver disorder; Macroangiopathy; Type 1 diabetes mellitus; Type 2 diabetes mellitus; Weight decreased",
"side_effects": "Cardiac disorder (0); Ischaemia (0); Abdominal pain upper; Arthralgia; Asthenia; Back pain; Bronchitis; Cardiac failure; Cardiac failure congestive; Chest pain; Diabetes mellitus; Diarrhoea; Discomfort; Fatigue; Feeling abnormal; Gastroenteritis; Headache; Hypoglycaemia; Ill-defined disorder; Influenza; Injury; Malaise; Muscle spasms; Musculoskeletal discomfort; Myalgia; Oedema; Oedema peripheral; Pain in extremity; Pharyngitis; Respiratory tract infection; Sinusitis; Tooth abscess; Tooth disorder; Upper respiratory tract infection; Urinary tract infection; Visual impairment; Weight increased",
"atc_codes": "A10BD05; A10BG03; A10BD09; A10BD06; A10BD12",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T004"
],
"function": [
"F01",
"F010401",
"F02010103",
"F02010201",
"F02010202",
"F020103",
"F020401",
"F02040101",
"F020403",
"F02110302"
],
"references": [
"RC00554",
"RC00555",
"RC00562",
"RC00563",
"RC00881",
"RC00882",
"RC00883",
"RC00947",
"RC00948",
"RC03633",
"RC04874",
"RC04967",
"RC04971",
"RC04972",
"RC04976",
"RC04980",
"RC04984",
"RC04985"
]
},
{
"compound_ID": "D0099",
"name": "Piroxicam",
"synonyms": "piroxicam; 36322-90-4; Feldene; Piroxicamum; Pyroxycam; Roxicam; Piroftal; BAXO; Roxam; CP 16171; CP-16171; Piroxicamum [INN-Latin]; CHF 1251; UNII-13T4O6VMAM; 4-Hydroxy-2-methyl-N-(pyridin-2-yl)-2H-benzo[e][1,2]thiazine-3-carboxamide 1,1-dioxide; NSC 666076; 2H-1,2-Benzothiazine-3-carboxamide, 4-hydroxy-2-methyl-N-2-pyridinyl-, 1,1-dioxide; Piroxicam (Feldene); CCRIS 3719; C15H13N3O4S; 4-Hydroxy-2-methyl-N-(2-pyridyl)-2H-1,2-benzothiazine-3-carboxamide-1,1-dioxide; EINECS 252-974-3; BRN 0627692; 13T4O6VMAM; 4-Hydroxy-2-methyl-3-(pyrid-2-yl-carbamoyl)-2H-1,2-benzothiazine 1,1-dioxide; 4-Hydroxy-2-methyl-N-(2-pyridyl)-2H-1,2-benzothiazin-3-caboxyamid-1,1-dioxid; 4-Hydroxy-2-methyl-N-2-pyridyl-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide; MLS000069644; CHEBI:8249; QYSPLQLAKJAUJT-UHFFFAOYSA-N; NSC666076; 4-Hydroxy-2-methyl-N-(2-pyridyl)-2H-1,2-benzothiazin-3-caboxyamid-1,1-dioxid [German]; 4-hydroxy-2-methyl-N-pyridin-2-yl-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide; NCGC00015823-02; Artroxicam; Bruxicam; Caliment; Flogobene; Geldene; Improntal; Larapam; Piroflex; Reudene; Roxiden; Sasulen; SMR000035997; Solocalm; Erazon; Pirkam; piroxicam usp; Riacen; Zunden; CAS-36322-90-4; DSSTox_CID_1170; DSSTox_RID_75990; DSSTox_GSID_21170; Rosiden; Felden; Feldene Fast; Feldene Gel; (4-hydroxy-2-methyl-1,1-dioxobenzo[e]1,2-thiazin-3-yl)-N-(2-pyridyl)carboxamid e; 4-Hydroxy-2-methyl-N-(2-pyridyl)-2H-1,2-benzothiazine-3-carboxamide 1,1-Dioxide; 4-hydroxy-2-methyl-N-(pyridin-2-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide; (Z)-3-(hydroxy(pyridin-2-ylamino)methylene)-2-methyl-2H-benzo[e][1,2]thiazin-4(3H)-one 1,1-dioxide; 1488516-58-0; Feldene (TN); Piroxicam [USAN:BAN:INN:JAN]; SR-01000000199; AK1015; Roxam;Feldene; 4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1?^{6},2-benzothiazine-3-carboxamide; Piroxicam,(S); Piroxicam(Feldene); Prestwick_573; Piroxicam [USAN:USP:INN:BAN:JAN]; piroxicam:malonic acid; Spectrum_001115; Tocris-0960; Opera_ID_442; Piroxicam: Form Alpha1; Piroxicam: Form Alpha2; Prestwick0_000211; Prestwick1_000211; Prestwick2_000211; Prestwick3_000211; Spectrum2_001287; Spectrum3_000780; Spectrum4_000968; Spectrum5_001445; Lopac-P-5654; CHEMBL527; P 5654; BIDD:PXR0154; Lopac0_000900; Oprea1_714707; SCHEMBL13462; SCHEMBL21350; BSPBio_000221; BSPBio_001030; BSPBio_002460; KBioGR_000370; KBioGR_001315; KBioSS_000370; KBioSS_001595; MLS000038002; MLS001148207; MLS001304054; MLS004774122; DivK1c_000369; SPECTRUM1500491; SPBio_001293; SPBio_002142; Piroxicam (JP17/USP/INN); BPBio1_000245; GTPL7273; Piroxicam, >=98% (TLC); SCHEMBL3703617; Piroxicam for system suitability; CHEMBL1518938; DTXSID5021170; BCBcMAP01_000176; BDBM85245; CTK7I2700; HMS501C11; KBio1_000369; KBio2_000370; KBio2_001595; KBio2_002938; KBio2_004163; KBio2_005506; KBio2_006731; KBio3_000719; KBio3_000720; KBio3_001680; KS-00000JBT; NINDS_000369; Piroxicam 1.0 mg/ml in Methanol; Bio1_000363; Bio1_000852; Bio1_001341; Bio2_000355; Bio2_000835; HMS1362D11; HMS1568L03; HMS1792D11; HMS1920H22; HMS1990D11; HMS2089B06; HMS2092A05; HMS2095L03; HMS2231G03; HMS3262D22; HMS3267I03; HMS3369B07; HMS3403D11; HMS3414H17; HMS3429L03; HMS3655C04; HMS3678H15; HMS3712L03; Pharmakon1600-01500491; BCP02919; HY-B0253; NSC_4856; Tox21_110231; Tox21_200151; Tox21_500900; ANW-43611; BBL016493; CCG-36403; MFCD00057317; NSC757284; s1713; STK177288; ZINC12466469; ZINC51133897; ZINC87724780; AKOS000714958; AKOS025312555; AKOS026749939; Tox21_110231_1; AM84917; CS-2233; DB00554; KS-5322; LP00900; LS-7663; MCULE-1939282084; NSC-666076; NSC-757284; (4-Hydroxy-2-methyl-1,1-dioxobenzo[e]1,2-thiazin-3-yl)-N-(2-pyridyl)carboxamide; 3,4-Dihydro-2-methyl-4-oxo-N-2-pyridyl-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide; 4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1lambda6,2-benzothiazine-3-carboxamide; 4-Hydroxy-2-methyl-N-2-pyridinyl-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide; IDI1_000369; IDI1_002110; NCGC00015823-01; NCGC00015823-03; NCGC00015823-04; NCGC00015823-05; NCGC00015823-06; NCGC00015823-07; NCGC00015823-08; NCGC00015823-09; NCGC00015823-10; NCGC00015823-11; NCGC00015823-12; NCGC00015823-13; NCGC00015823-14; NCGC00015823-15; NCGC00015823-17; NCGC00015823-18; NCGC00021244-03; NCGC00021244-05; NCGC00021244-06; NCGC00021244-07; NCGC00021244-08; NCGC00021244-09; NCGC00188982-01; NCGC00257705-01; NCGC00261585-01; AC-24190; NCI60_022912; SC-16825; ST069379; BCP0726000299; SBI-0050875.P004; AB0011706; AB2000240; CAS_36322-90-4; CP-16,171; Piroxicam, meets USP testing specifications; ST2411449; TR-014899; EU-0100900; FT-0080892; FT-0630590; P1905; SW219862-1; EN300-70724; A19556; C01608; D00127; J10253; M-9898; AB00052074-21; AB00052074-22; AB00052074_23; AB00052074_24; 322P904; Q408676; SR-01000000199-3; SR-01000000199-5; SR-01000000199-9; W-106626; SR-01000000199-12; F0001-2399; Piroxicam, British Pharmacopoeia (BP) Reference Standard; Z1259192069; Piroxicam, European Pharmacopoeia (EP) Reference Standard; Piroxicam, United States Pharmacopeia (USP) Reference Standard; Piroxicam, Pharmaceutical Secondary Standard; Certified Reference Material; 2H-1,2-Benzothiazine-3-carboxamide,4-hydroxy-2-methyl-N-2-pyridinyl-, 1,1-dioxide; 4-hydroxy-2-methyl-1,1-dioxo-N-(2-pyridyl)-1$l^{6},2-benzothiazine-3-carboxamide; 4-hydroxy-2-methyl-1,1-dioxo-N-(pyridin-2-yl)-2H-1$l^{6},2-benzothiazine-3-carboxamide; 4-Hydroxy-2-methyl-3-(2-pyridylcarbamoyl)-2H-1,2-benzothiazine 1,1-Dioxide; 4-Hydroxy-2-methyl-N-(2-pyridyl)-2H-1,2-benzo-thiazine-3-carboxamide1,1-dioxide; 4-Hydroxy-2-methyl-N-2-pyridinyl-2H-1,2-benzothiazine-3-carboxamide1,1-dioxide; N-(2-pyridyl)-4-hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide; (E)-3-(hydroxy(pyridin-2-ylamino)methylene)-2-methyl-2,3-dihydro-4H-benzo[e][1,2]thiazin-4-one 1,1-dioxide; 1044566-76-8; 3-[hydroxy(pyridin-2-ylamino)methylidene]-2-methyl-2,3-dihydro-4h-1,2-benzothiazin-4-one 1,1-dioxide; 3-{hydroxy[(pyridin-2-yl)amino]methylidene}-2-methyl-3,4-dihydro-2H-1$l^{6},2-benzothiazine-1,1,4-trione; 3-{hydroxy[(pyridin-2-yl)amino]methylidene}-2-methyl-3,4-dihydro-2H-1lambda,2-benzothiazine-1,1,4-trione; 3-{hydroxy[(pyridin-2-yl)amino]methylidene}-2-methyl-3,4-dihydro-2H-1lambda6,2-benzothiazine-1,1,4-trione; 4-hydroxy-2-methyl-1,1-dioxo-N-(2-pyridyl)-1,2-dihydro-1lambda,2-benzothiazine-3-carboxamide; 4-Hydroxy-2-methyl-N-(2-pyridyl)-2H-1,2-benzothiazine -3-carboxamide-1,1-dioxide malonic acid",
"trade_name": "Feldene",
"abbrev_name": "Piroksikam, piroxikam",
"description": "nonsteroidal anti-inflammatory drug of the oxicam class",
"molecular_formula": "C15H13N3O4S",
"molecular_weight": "331.3",
"state": "solid",
"clearance": "",
"volume_of_distribution": "* 0.14 L/kg",
"route_of_elimination": "Piroxicam and its biotransformation products are excreted in urine and feces, with about twice as much appearing in the urine as in the feces. Approximately 5% of a piroxicam dose is excreted unchanged. However, a substantial portion of piroxicam elimination occurs by hepatic metabolism. Piroxicam is excreted into human milk.",
"protein_binding": "",
"half_life": "30 to 86 hours",
"absorption": "Well absorbed following oral administration.",
"cid": "54676228",
"classification": "S; M",
"indications": "Ankylosing spondylitis; Arthritis; Ligament sprain; Osteoarthritis; Rheumatoid arthritis; Soft tissue injury; Tendonitis",
"side_effects": "Abdominal discomfort (0.057); Stomatitis (0.01)",
"atc_codes": "M01AC01; M02AA07; S01BC06",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T002",
"T408"
],
"function": [
"F01",
"F0108",
"F0201",
"F02010102",
"F02010103",
"F0206",
"F0221",
"F0303",
"F0504",
"F070105",
"F070106"
],
"references": [
"RC02084",
"RC02705",
"RC03326",
"RC04108",
"RC04232",
"RC04356",
"RC04480",
"RC04604",
"RC04770",
"RC04783",
"RC04796",
"RC04809",
"RC04822",
"RC04835",
"RC04848",
"RC04861"
]
},
{
"compound_ID": "D0100",
"name": "Porfiromycin",
"synonyms": "Porfiromycin; Methylmitomycin; Methyl mitomycin C; Regamycin; N-Methylmitomycin C; ENT-50825; Nsc 56410; 801-52-5; Porfiromycine [INN-French]; Porfiromycinum [INN-Latin]; UNII-H1WK901OA6; Porphyromycin; Porfiromicina [INN-Spanish]; Porfiromycin [USAN:INN:BAN]; U-14743; NSC-56410; AI3-50825; H1WK901OA6; Mitomycin C, N-methyl-; C16H20N4O5; 6-Amino-1,1a,2,8,8a,8b-hexahydro-8-(hydroxymethyl)-8a-methoxy-1,5-dimethylazirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione carbamate (ester); Porfiromicina; Porfiromycinum; Methylmitomycin C; Azirino(2',3':3,4)pyrrolo(1,2-a)-indole-4,7-dione, 6-amino-8-(((aminocarbonyl)oxy)methyl)-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-1,5-dimethyl-; Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 6-amino-1,1a,2,8,8a,8b-hexahydro-8-(hydroxymethyl)-8a-methoxy-1,5-dimethyl-, carbamate (ester); Porfiromycin (USAN/INN); SCHEMBL5046; CHEMBL521078; ZINC100091597; Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 6-amino-8-(((aminocarbonyl)oxy)methyl)-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-1,5-dimethyl-, (1aS-(1aalpha,8beta,8aalpha,8balpha))-; LS-23381; D05572; U-14,743; (amino-methoxy-dimethyl-dioxo-[?]yl)methyl carbamate; Q27279527; 6-Amino-1,1a,2,8,8a,8b-hexahydro-8-(hydroxymethyl)-8a-methoxy-1,5-dimethyl-azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, carbamate ester; Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 6-amino-1,1a,2,8,8a,8b-hexahydro-8-(hydroxymethyl)-8a- methoxy-1,5-dimethyl-, carbamate (ester); Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 6-amino-1,1a,2,8,8a,8b-hexahydro-8-(hydroxymethyl)-8a- methoxy-1,5-dimethyl-, carbamate (ester) (8CI); Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 6-amino-8-(((aminocarbonyl)oxy)methyl)-1,1a,2,8,8a,8b- hexahydro-8a-methoxy-1,5-dimethyl-,(1aR-(1aalpha,8beta,8aalpha,8balpha))-; Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 6-amino-8-(((aminocarbonyl)oxy)methyl)-1,1a,2,8,8a,8b- hexahydro-8a-methoxy-1,5-dimethyl-,(1aR-(1aalpha,8beta,8aalpha,8balpha))- (9CI)",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C16H20N4O5",
"molecular_weight": "348.35",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "13116",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
}
]
}
