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{
"count": 1453,
"next": "https://mitotox.org/api/compounds/list?format=api&page=5",
"previous": "https://mitotox.org/api/compounds/list?format=api&page=3",
"results": [
{
"compound_ID": "D0312",
"name": "Aluminium monostearate",
"synonyms": "Aluminum monostearate; Dibasic aluminum stearate; Dihydroxyaluminum stearate; 7047-84-9; Dihydroxy(stearato)aluminum; Aluminium monostearate; dihydroxy(stearato)aluminium; Aluminum, monostearate; Aluminum, dihydroxide stearate; Dihydroxyaluminium stearate, pure; EINECS 230-325-5; ALUMINUM, DIHYDROXY(STEARATO)-; CHEBI:31197; Aluminum, dihydroxy(octadecanoato-O-)-; NCGC00160596-02; Aluminum, dihydroxy(octadecanoato-kappaO)-; Aluminum monostearate [JAN]; C18H37AlO4; Aluminum dextran; Aluminum monostearate [JAN:NF]; aluminummonostearate; Aluminum stearate 300; Dibasic aluminium stearate; Aluminum, dihydroxy(octadecanoato-.kappa.O)-; SCHEMBL4101; DSSTox_CID_28623; DSSTox_RID_82893; DSSTox_GSID_48697; dihydroxy(stearoyloxy)aluminum; Aluminium, dihydroxide stearate; CHEMBL3185220; DTXSID9048697; dihydroxido(octadecanoato)aluminium; Aluminum monostearate (JP17/NF); Tox21_113090; AKOS024319334; DB01375; NCGC00160596-01; NCGC00160596-03; LS-16475; U196; CAS-7047-84-9; D01867; SR-01000945248; Q4119955; SR-01000945248-1; Aluminum monostearate, technical, ~75% (Al), powder",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C18H39AlO4",
"molecular_weight": "346.5",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "16682987",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0313",
"name": "Amifostine",
"synonyms": "amifostine; 20537-88-6; Ethiofos; Gammaphos; Ethyol; Sapep; Apaetp; Aminopropylaminoethyl thiophosphate; WR 2721; 2-(3-Aminopropylamino)ethyl thiophosphate; Amifostina; NSC-296961; AU-95722; YM-08310; UNII-ILA426L95O; NSC296961; Amifostinum; C5H15N2O3PS; Amifostine [USAN:INN:BAN]; NSC 296961; WR-2721; S-(2-(3-Aminopropylamino)ethyl) phosphorothioate; BRN 2088122; CHEBI:2636; ILA426L95O; JKOQGQFVAUAYPM-UHFFFAOYSA-N; WR 2721C; S,2-(3-Aminopropylamino)ethyl-phosphorothioic acid; S-2-(3-Aminopropylamino)ethyl phosphorothioic acid; NCGC00015073-02; S-omega-(3-Aminopropylamino)ethyl dihydrogen phosphorothioate; S-(2-((3-Aminopropyl)amino)ethyl) dihydrogen phosphorothioate; Acide ((amino-3 propylamino)-2 ethyl)-S-phosphorothioique [French]; Ethanethiol, 2-[(3-aminopropyl)amino]-, 1-(dihydrogen phosphate); DSSTox_CID_2585; Ethanethiol, 2-((3-aminopropyl)amino)-, dihydrogen phosphate (ester); Ethiofos Anhydrous; DSSTox_RID_76644; DSSTox_GSID_22585; ({2-[(3-aminopropyl)amino]ethyl}sulfanyl)phosphonic acid; S-{2-[(3-aminopropyl)amino]ethyl} dihydrogen thiophosphate; Phosphorothioic acid, S-(2-(3-aminopropylamino)ethyl) ester; Amifostine Ethiofos; CAS-20537-88-6; S-[2-(3-Aminopropylamino)ethyl] phosphorothioate; SR-01000075680; YM 08310; S-[2-[(3-Aminopropyl)amino]ethyl] dihydrogen phosphorothioate; CCRIS 9316; HSDB 7560; Amifostine,(S); 2-(3-aminopropylamino)ethylsulfanylphosphonic acid; Ethyol;WR2721; Spectrum_000332; SpecPlus_000647; Spectrum5_001920; Lopac-A-5922; NCIMech_000622; S 8744; CHEMBL1006; Lopac0_000029; SCHEMBL18464; KBioSS_000812; MLS000028473; S-2-(3-aminopropylamino)-ethylphosphorothioic acid; BIDD:GT0059; DivK1c_006743; DTXSID8022585; CTK8F7705; KBio1_001687; KBio2_000812; KBio2_003380; KBio2_005948; Acide ((amino-3 propylamino)-2 ethyl)-S-phosphorothioique; HMS2090I03; HMS3260E19; HMS3713C06; Pharmakon1600-01503081; 2-((3-Aminopropyl)amino)-ethanethiol, dihydrogen phosphate ester; BCP08957; HY-B0639; KS-00001F8B; Phosphorothioic acid, S-[2-[(3-aminopropyl)amino]ethyl] ester; Tox21_110077; Tox21_500029; CCG-35734; NSC758236; S-(2-((3-aminopropyl)amino)ethyl) O,O-dihydrogen phosphorothioate; ZINC21992285; AKOS015895196; Tox21_110077_1; AC-1126; API0001443; CS-2875; DB01143; LP00029; NSC-758236; SMP2_000335; NCGC00015073-01; NCGC00015073-03; NCGC00015073-04; NCGC00015073-05; NCGC00093549-01; NCGC00093549-02; NCGC00260714-01; AS-13020; Ethanethiol, dihydrogen phosphate (ester); NCI60_002485; SC-18798; SMR000058413; Ethanethiol, dihydrogen phosphate- (ester); SBI-0050018.P003; AB0012846; LS-108362; EU-0100029; FT-0622272; 37A886; A 5922; C06819; [2-(3-aminopropylamino)ethylthio]phosphonic acid; 33870-EP2275420A1; 33870-EP2295055A2; 33870-EP2295416A2; 33870-EP2295426A1; 33870-EP2295427A1; 33870-EP2298748A2; 33870-EP2298764A1; 33870-EP2298765A1; 33870-EP2305642A2; 33870-EP2311453A1; 33870-EP2311808A1; 33870-EP2311829A1; AB00053311-04; AB00053311-05; AB00053311_06; A814662; Q251698; {S-[2-(3-Aminopropylamino)ethyl]} phosphorothioate; 2-(3-azanylpropylamino)ethylsulfanylphosphonic acid; J-013390; J-519582; SR-01000075680-1; SR-01000075680-3; SR-01000075680-5; 2-(3-Aminopropyl)aminoethyl phosphorothioate; WR2721; BRD-K73947551-001-01-0; 2-(3-aminopropylamino)ethylsulfanylphosphonic acid,trihydrate; Phosphorothioic acid, S-[2-[(3-aminopropyl)amino]ethyl]ester; S-2-(3-aminopropylamino)ethyl O,O-dihydrogen phosphorothioate; {S-[2-[(3-Aminopropyl)amino]ethyl]} dihydrogen phosphorothioate; 2-((3-Aminopropyl)amino)-ethanethiol, dihydrogen phosphate ester (9CI); Ethanethiol, {S-[(3-aminopropyl)amino]-,} dihydrogen phosphate- (ester)",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C5H15N2O3PS",
"molecular_weight": "214.23",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "After a 10-second bolus dose of 150 mg/m2 of ETHYOL, renal excretion of the parent drug and its two metabolites was low during the hour following drug administration, averaging 0.69%, 2.64% and 2.22% of the administered dose for the parent, thiol and disulfide, respectively.",
"protein_binding": "",
"half_life": "8 minutes",
"absorption": "",
"cid": "2141",
"classification": "V",
"indications": "Body temperature increased; Dry mouth; Neoplasm malignant; Neutropenia; Non-small cell lung cancer; Ovarian cancer",
"side_effects": "",
"atc_codes": "V03AF05",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0314",
"name": "Amrubicin",
"synonyms": "Amrubicin; 110267-81-7; UNII-93N13LB4Z2; C25H25NO9; 93N13LB4Z2; Amrubicin [USAN:INN]; Amrubicin (USAN/INN); Amrubicin(SM-5887); SCHEMBL9140; CHEMBL1186894; EX-A161; CHEBI:135779; VJZITPJGSQKZMX-XDPRQOKASA-N; (+-)-(7S,9S)-9-Acetyl-9-amino-7-((2-deoxy-beta-D-erythro-pentopyranosyl)oxy)-7,8,9,10-tetrahydro-6,11-dihydroxy-5,12-naphthacenedione; HY-B0067; ZINC3780800; 3441AH; CS-2836; DB06263; LS41109; A12663; D08854; W-60403; Q4748723; W-200813; (+)-(7S,9S)-9-acetyl-9-amino-7-[(2-deoxy--D-erythro-pentopyranosyl)oxy]-7,8,9,10-tetrahydro-6,11-dihydroxy-5,12-naphthacenedione hydrochloride; (7S,9S)-9-acetyl-9-amino-7-(((2S,4S,5R)-4,5-dihydroxytetrahydro-2H-pyran-2-yl)oxy)-6,11-dihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione; 5,12-Naphthacenedione, 9-acetyl-9-amino-7-((2-deoxy-beta-D-erythro-pentopyranosyl)oxy)-7,8,9,10-tetrahydro-6,11-dihydroxy-, (7S,9S)-",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C25H25NO9",
"molecular_weight": "483.5",
"state": "solid",
"clearance": "The plasma pharmacokinetics of amrubicin in cancer patients are characterized by low total clearance (22% of total liver blood flow) [L1710].",
"volume_of_distribution": "Moderate volume of distribution (1.4 times total body water) [L1710].",
"route_of_elimination": "In one study, urinary excretion of amrubicin and amrubicinol after ingestion of amrubicin accounted for 2.7% to 19.6% of the administered dose. The amount of excreted amrubicinol was approximately 10-fold greater than excreted amrubicin [L1710].\n\nExcretion of amrubicin and its metabolites is primarily hepatobiliary. Enterohepatic recycling was demonstrated in rats [L1710].",
"protein_binding": "A study was performed on the plasma protein binding of amrubicin in both patients with hepatic impairment and those with normal liver function. In those with liver impairment, the plasma protein binding was found to be 91.3–97.1% and in those with normal hepatic function, 82.0–85.3% [L1713].",
"half_life": "20-30 h [A32143]\n\nIn a study of dogs, Amrubicin plasma concentrations followed a biphasic pattern with peak concentrations observed immediately after dosing followed by alpha and beta half-lives (t1/2) ± SD of 0.06 ± 0.01 and 2.0 ± 0.3 hours, respectively [L1710].",
"absorption": "Peak plasma concentrations of the active metabolite _amrubicinol_ were observed from immediately after administration of amrubicin to 1h after administration. Plasma concentrations of amrubicinol were low compared with amrubicin plasma concentrations. The plasma amrubicinol AUC (area under the curve) was approximately 10-fold lower than the amrubicin plasma AUC. Concentrations of amrubicinol were higher in RBCs as compared with plasma. Amrubicinol AUCs ranged from 2.5-fold to 57.9-fold higher in red blood cells (RBCs) compared to plasma. Because amrubicinol distributes itself into RBCs more than amrubicin, the concentrations of amrubicinol and amrubicin in RBCs were quite similar. The AUC of amrubicinol in RBCs was approximately twofold lower than the amrubicin RBC AUC [L1713].\n\nIn one study, after repeated daily amrubicin administration, amrubicinol accumulation was observed in plasma and RBCs. On day 3, the amrubicinol plasma AUC was 1.2-fold to 6-fold higher than day 1 values; the RBC AUC was 1.2-fold to 1.7-fold higher than day 1 values. After 5 consecutive daily doses, plasma and RBC amrubicinol AUCs were 1.2-fold to 2.0-fold higher than day 1 values [L1713].",
"cid": "3035016",
"classification": "L",
"indications": "",
"side_effects": "",
"atc_codes": "L01DB10",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0315",
"name": "Anthralin",
"synonyms": "anthralin; Dithranol; 1143-38-0; 1,8-Dihydroxyanthrone; 1,8-Dihydroxy-9-anthrone; Cignolin; Chrysodermol; Cigthranol; 9(10H)-Anthracenone, 1,8-dihydroxy-; 1,8-Dihydroxyanthracen-9(10H)-one; Batridol; Psoriacid-Stift; Anthra-Derm; Drithoscalp; DrithoCreme; Anthrone, 1,8-dihydroxy-; 1,8-dihydroxy-10H-anthracen-9-one; 1,8-DIHYDROXY-9(10H)-ANTHRACENONE; NSC 43970; Anthraline; NSC 629313; UNII-U8CJK0JH5M; Dithranolum [INN-Latin]; Anthralin [USP]; CCRIS 628; CHEBI:37510; EINECS 214-538-0; U8CJK0JH5M; BRN 2054360; CHEMBL46469; NUZWLKWWNNJHPT-UHFFFAOYSA-N; Anthralin (USP); Dithranol (INN); Dithranol [INN]; NSC629313; NCGC00091330-01; DSSTox_CID_4538; 1,8-Dihydroxy-9(10H)-anthracenone;Anthralin; DSSTox_RID_77448; DSSTox_GSID_24538; W-108602; Dithranolum; 1,8,9-Trihydroxyanthracene, 97%; Zithranol-RR; CAS-1143-38-0; SR-05000002011; cignoline; Psodadrate; Prestwick_528; Anthralin, Dithranol; Dithranol ,(S); MFCD00053409; Anthralin (Dithranol); Anthrone,8-dihydroxy-; Spectrum_000056; ANTHRADERM (TN); Spectrum2_000111; Spectrum3_000304; Spectrum4_000151; Spectrum5_000820; Epitope ID:114081; 1,8-dihydroxy-9-anthrane; cid_2202; SCHEMBL3197; BSPBio_001868; KBioGR_000622; KBioSS_000436; 4-06-00-07602 (Beilstein Handbook Reference); MLS001332632; MLS002415712; DivK1c_000021; SPECTRUM1500127; SPBio_000122; ZINC1322; Dithranol, >=90% (HPLC); DTXSID7024538; CTK8A0163; HMS500B03; KBio1_000021; KBio2_000436; KBio2_003004; KBio2_005572; KBio3_001368; NUZWLKWWNNJHPT-UHFFFAOYSA-; NINDS_000021; HMS1920E07; HMS2091K07; HMS2271B09; HMS3715H19; Pharmakon1600-01500127; HY-B0738; NSC43970; 9(10H)-Anthracenone,8-dihydroxy-; Tox21_111115; Tox21_201851; Tox21_300290; BDBM50041802; CCG-38920; LS-570; MFCD00001250; NSC-43970; NSC755873; 1,8-dihydroxy-9-(10H)anthracenone; AKOS015914122; Tox21_111115_1; API0002431; CS-2980; DB11157; KS-5183; MCULE-8492759735; NSC-629313; NSC-755873; 1,8-dihydroxy-10-hydroanthracen-9-one; IDI1_000021; 1,8-Dihydroxy-9(10H)-anthracenone #; NCGC00091330-02; NCGC00091330-03; NCGC00091330-04; NCGC00091330-05; NCGC00091330-07; NCGC00253941-01; NCGC00259400-01; AC-14842; AK481321; NCI60_004019; SC-19051; SBI-0051286.P003; AB0105711; DB-060606; 1,8-dihydroxy-9,10-dihydroanthracen-9-one; FT-0625372; ST50825759; C06831; D00233; K-1044; 9(10H)-Anthracenone, 1,8-dihydroxy- (9CI); AB00051916_07; Q419397; SR-05000002011-1; SR-05000002011-2; Dithranol, European Pharmacopoeia (EP) Reference Standard; Anthralin, United States Pharmacopeia (USP) Reference Standard; Anthralin (Dithranol), Pharmaceutical Secondary Standard; Certified Reference Material; InChI=1/C14H10O3/c15-10-5-1-3-8-7-9-4-2-6-11(16)13(9)14(17)12(8)10/h1-6,15-16H,7H2",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C14H10O3",
"molecular_weight": "226.23",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "Anthralin penetrates damaged skin and psoriatic lesions faster and to a greater extent than normal skin, likely due to increased vascularity of psoriatic lesions [L1932].\n\n\n\n",
"cid": "2202",
"classification": "D",
"indications": "",
"side_effects": "",
"atc_codes": "D05AC51; D05AC01",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0317",
"name": "Atovaquone",
"synonyms": "ATOVAQUONE; 95233-18-4; Mepron; Wellvone; Acuvel; Atavaquone; 566C80; Mepron (antipneumocystic); cis-Atovaquone; 94015-53-9; BW 566C; 566C; Atovaquone (Atavaquone); DRG-0084; 137732-39-9; UNII-Y883P1Z2LT; C22H19ClO3; BW 566C-80; HSDB 7083; 2-(trans-4-(p-Chlorophenyl)cyclohexyl)-3-hydroxy-1,4-naphthoquinone; 3-[4-(4-chlorophenyl)cyclohexyl]-4-hydroxynaphthalene-1,2-dione; 2-[trans-4-(4-chlorophenyl)cyclohexyl]-3-hydroxy-1,4-naphthoquinone; Y883P1Z2LT; 2-(4-(4-Chlorophenyl)cyclohexyl)-3-hydroxy-1,4-naphthoquinone; CHEBI:575568; KUCQYCKVKVOKAY-UHFFFAOYSA-N; 2-[trans-4-(4-chlorophenyl)cyclohexyl]-3-hydroxynaphthalene-1,4-dione; 2-(TRANS-4-(4-CHLOROPHENYL)CYCLOHEXYL)-3-HYDROXY-1,4-NAPHTHALENEDIONE; NCGC00016961-01; CAS-95233-18-4; 1,4-Naphthalenedione, 2-[cis-4-(4-chlorophenyl)cyclohexyl]-3-hydroxy-; 2-[trans-4-(4-Chlorophenyl)cyclohexyl]-3-hydroxy-1,4-naphthalenedione; DSSTox_CID_2629; trans-2-[4-(4-Chlorophenyl)cyclohexyl]-3-hydroxy-1,4-naphthalenedione; 2-[4-(4-chlorophenyl)cyclohexyl]-3-hydroxy-1,4-dihydronaphthalene-1,4-dione; DSSTox_RID_76664; DSSTox_GSID_22629; 2-[trans-4-(p-Chlorophenyl)cyclohexyl]-3-hydroxy-1,4-naphthoquinone; 1,4-Naphthalenedione, 2-(4-(4-chlorophenyl)cyclohexyl)-3-hydroxy-, trans-; 1,4-Naphthalenedione, 2-(trans-4-(4-chlorophenyl)cyclohexyl)-3-hydroxy-; 2-((1r,4r)-4-(4-chlorophenyl)cyclohexyl)-3-hydroxynaphthalene-1,4-dione; Atovaquone [USAN:BAN:INN]; Mepron (TN); BW-A 566C; SR-05000001438; BW-566C-80; CRL-8131 & Atovaquone; Atovakvon; 2-[4-(4-chlorophenyl)cyclohexyl]-3-hydroxy-1,4-naphthoquinone; Atovaquone & Interleukin 12; 2-[4-(4-chlorophenyl)cyclohexyl]-3-hydroxy-naphthalene-1,4-dione; 2-[4-(4-chlorophenyl)cyclohexyl]-3-hydroxynaphthalene-1,4-dione; 2-(trans-4-(4-chlorophenyl)cyclohexyl)-3-hydroxynaphthalene-1,4-dione; trans-2-(4-(4-chlorophenyl) cyclohexyl)-3-hydroxynaphthalene-1,4-dione; ATO & IL-12; Atovaquone [USAN:USP:INN:BAN]; atovaquone-atavaquone; BW 566C80; Spectrum_001743; SpecPlus_000686; Prestwick0_000534; Prestwick1_000534; Prestwick2_000534; Prestwick3_000534; Spectrum2_001665; Spectrum3_000991; Spectrum4_001117; Spectrum5_001382; Atovaquone EP Impurity B; SCHEMBL21694; SCHEMBL21695; Atovaquone (JAN/USP/INN); BSPBio_000547; BSPBio_002681; KBioGR_001594; KBioSS_002223; MLS002153863; BIDD:GT0849; DivK1c_006782; SCHEMBL637069; SPECTRUM1504210; SPBio_001849; SPBio_002468; BPBio1_000603; CHEMBL222334; CHEMBL519462; GTPL9695; NAP016; SCHEMBL1542719; SCHEMBL1649508; SCHEMBL9975142; SCHEMBL9975229; Atovaquone, >=98% (HPLC); DTXSID7022629; CHEBI:95346; CTK5H7581; KBio1_001726; KBio2_002223; KBio2_004791; KBio2_007359; KBio3_001901; DTXSID20916694; KUCQYCKVKVOKAY-CTYIDZIISA-N; KUCQYCKVKVOKAY-OTVXOJSOSA-N; BDBM192009; HMS1569L09; HMS1922F19; HMS2089M14; HMS2093C10; HMS2096L09; HMS2235N08; HMS3369N09; HMS3651N20; HMS3713L09; Pharmakon1600-01504210; BCP09477; KS-00000FO3; Tox21_110714; 3-[4-(4-chlorophenyl)cyclohexyl]-4-hydroxy-naphthalene-1,2-dione; CCG-39090; FD7252; NSC759582; s3079; STK636160; trans-2-[4-(4-chlorophenyl)cyclohexyl]-3-hydroxy-1,4-naphthoquinone; ZINC12504271; AKOS005567953; AKOS015895691; AKOS015961933; Tox21_110714_1; ZINC100017856; ZINC100345537; ZINC116473771; ZINC299873031; BW-556C-80; CCG-220534; CS-2702; DB01117; MCULE-7318126574; NSC-759582; NCGC00016961-02; NCGC00016961-03; NCGC00016961-04; NCGC00016961-06; NCGC00016961-07; NCGC00095113-01; NCGC00095113-02; AC-30251; AK544285; AS-12809; HY-13832; SC-15688; SC-21393; SMR001233220; SBI-0052893.P002; AB0012456; AB0107187; AB0211463; LS-178256; TX-010638; AB00513855; FT-0081084; FT-0602868; SW219222-1; A13708; C06835; D00236; J90007; 78668-EP2307343A1; AB00053222-03; AB00053222_04; AB00053222_05; 233A184; Q418179; SR-05000001438-1; SR-05000001438-2; SR-05000001438-4; SR-05000001438-5; 2-(4-(4-Chlorophenyl)cyclohexyl)-3-hydroxy-1,4-nap; Z1541632806; 2-[4-(4-chlorophenyl)cyclohexy]-3-hydroxy-1,4-naphthoquinone; 2-[4-(4-chlorophenyl)cyclohexyl]-3-hydroxy-1,4-napthoquinone; 2-[4-(4-chlorophenyl)cyclohexyl]-3-hydroxy-1.4-naphthoquinone; 2-Hydroxy-3-[4-(4-chlorophenyl)cyclohexyl]-1,4-naphthoquinone; 3-[4-(p-chlorophenyl)cyclohexyl]-4-hydroxy-1,2-naphthoquinone; 1,4-Naphthalenedione, 2-(4-(4-chlorophenyl)cyclohexyl)-3-hydroxy-; 2-[4-(4-Chlorophenyl)cyclohexyl]-3-hydroxynaphthoquinone, trans-; 3-[4-(4-Chlorophenyl)cyclohexyl]-4-hydroxy-1,2-naphthalenedione; Cis-2-[4-(4-chlorophenyl)cyclohexyl]-3-hydroxy-1,4-naphthoquinone; 1,4-Naphthalenedione, 2-[trans-4-(4-chlorophenyl)cyclohexyl]-3-hydroxy; 1,4-naphthalenedione,2-(trans-4-(4-chlorophenyl)cyclohexyl)-3-hydroxy-; cis -2-(4-(4-chlorophenyl)cyclohexyl)-3-hydroxynaphthalene-1,4-dione",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C22H19ClO3",
"molecular_weight": "366.8",
"state": "solid",
"clearance": "* 10.4 +/- 5.5 ml/min [HIV-infected patients receiving IV administration]",
"volume_of_distribution": "* 0.60 ± 0.17 L/kg",
"route_of_elimination": "The half-life of atovaquone is long due to presumed enterohepatic cycling and eventual fecal elimination. There was little or no excretion of atovaquone in the urine (less than 0.6%).",
"protein_binding": "Atovaquone is extensively bound to plasma proteins (99.9%) over the concentration range of 1 to 90 µg/mL.",
"half_life": "2.2 to 3.2 days",
"absorption": "The bioavailability of atovaquone is low and variable and is highly dependent on formulation and diet. Bioavailability of the suspension increases two-fold when administered with meals. When administered with food, bioavailability is approximately 47%. Without food, the bioavailability is 23%.",
"cid": "74989",
"classification": "P",
"indications": "Acquired immunodeficiency syndrome; Autoimmune disorder; Bacterial infection; Death; Lymphoma; Mycotic aneurysm; Non-Hodgkin's lymphoma; Pneumocystis jirovecii pneumonia; Pneumothorax; Sepsis; Vomiting",
"side_effects": "Alanine aminotransferase increased (6e-04); Blood alkaline phosphatase increased (8e-04); Bronchospasm (2e-04); Constipation (3e-04); Leukopenia (4e-04); Pruritus (5e-04); Abdominal pain; Amylase increased; Anaemia; Anxiety; Aspartate aminotransferase increased; Asthenia; Blood creatinine increased; Body temperature increased; Cough; Decreased appetite; Dermatitis; Diarrhoea; Dizziness; Dysgeusia; Dyspepsia; Dyspnoea; Gastrointestinal pain; Headache; Hyperglycaemia; Hyperkalaemia; Hypersensitivity; Hypoglycaemia; Hyponatraemia; Hypotension; Infection; Insomnia; Nausea; Neutropenia; Pain; Rash; Rhinitis; Sinusitis; Vomiting",
"atc_codes": "P01AX06",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0318",
"name": "Azelaic acid",
"synonyms": "azelaic acid; NONANEDIOIC ACID; 123-99-9; Finacea; Anchoic acid; Azelex; Lepargylic acid; Skinoren; 1,7-Heptanedicarboxylic acid; Heptanedicarboxylic acid; 1,9-Nonanedioic acid; Emerox 1110; Emerox 1144; n-Nonanedioic acid; acide azelaique; Finevin; Acido azelaico; Azelainic acid; acidum azelaicum; Polyazelaic anhydride; Skinorem; Azelaic acid, technical grade; Emery's L-110; Acide azelaique [French]; Acido azelaico [Spanish]; Acidum azelaicum [Latin]; Azelaic acid [USAN:INN]; 1,7-Dicarboxyheptane; Poly(azelaic anhydride); ZK-62498; UNII-F2VW3D43YT; NSC 19493; Azelaic acid 99%; ZK 62498; Azelaic acid, 98%; CHEBI:48131; EINECS 204-669-1; BRN 1101094; F2VW3D43YT; AI3-06299; MLS000069659; 26776-28-3; BDJRBEYXGGNYIS-UHFFFAOYSA-N; azelaate; azelate; NSC19493; MFCD00004432; NCGC00014993-07; SMR000059164; Azalaic Acid; DSSTox_CID_1640; DSSTox_RID_76254; DSSTox_GSID_21640; heptane-1,7-dicarboxylic acid; Azelaic polyanhydride; Nonanedioic acid, homopolymer; Azelaic; Azleaic Acid; Azelaic acid polyanhydride; CAS-123-99-9; Finacea (TN); Azelex (TN); SR-01000075671; 27825-99-6; Azelaic acid (USAN/INN); azelaicacid; Azelaicacidtech; Azelainsaeure; Azelainsaure; Lepargylate; Nonandisaeure; Nonandisaure; Anchoate; Nonanedioic acid, sodium salt; azelaic-acid; n-Nonanedioate; Acidum acelaicum; nonanedionic acid; HSDB 7659; 1tuf; 1,9-Nonanedioate; SH-441; AGN-191861; Spectrum_000057; ACMC-1BTAP; Opera_ID_740; Polyazelaic Polyanhydride; 1,7-Heptanedicarboxylate; Spectrum2_000995; Spectrum3_000278; Spectrum4_000401; Spectrum5_001304; C9-120-alpha-polymorph; C9-140-alpha-polymorph; C9-180-alpha-polymorph; C9-220-alpha-polymorph; C9-260-alpha-polymorph; C9-298-alpha-polymorph; Water-soluble azelaic acid; Epitope ID:187039; A-9800; EC 204-669-1; Nonanedioic acid homopolymer; Lopac-246379; SCHEMBL3887; CHEMBL1238; Lopac0_000051; BSPBio_001756; KBioGR_000662; KBioSS_000437; Nonanedioic acid Azelaic acid; 4-02-00-02055 (Beilstein Handbook Reference); KSC178S1P; MLS001148615; ARONIS24596; BIDD:GT0315; DivK1c_000532; SPECTRUM1500648; SPBio_001089; GTPL7484; DTXSID8021640; CTK0H8917; HMS501K14; KBio1_000532; KBio2_000437; KBio2_003005; KBio2_005573; KBio3_001256; KS-00000WLV; Azelaic acid, analytical standard; NINDS_000532; HMS1921O11; HMS2092E22; HMS2234D10; HMS3260K03; HMS3372J07; Pharmakon1600-01500648; BCP18690; HY-B0704; KS-000046KE; ZINC1531036; Tox21_110063; Tox21_201989; Tox21_303011; Tox21_500051; ANW-18182; Azelaic acid, technical grade, 80%; CCG-40081; LMFA01170054; NSC-19493; NSC757406; s4550; SBB060279; STL059432; AKOS000120052; Tox21_110063_1; Azelaic acid, technical, ~85% (GC); Azelaic acid, Vetec(TM) reagent grade; DB00548; KS-5293; LP00051; LS41867; MCULE-4093240509; NE10317; NSC-757406; RTR-003741; SDCCGMLS-0066619.P001; TRA0060478; IDI1_000532; MLS-0066619; NCGC00014993-01; NCGC00014993-02; NCGC00014993-03; NCGC00014993-04; NCGC00014993-05; NCGC00014993-06; NCGC00014993-08; NCGC00014993-09; NCGC00014993-10; NCGC00014993-12; NCGC00093565-01; NCGC00093565-02; NCGC00093565-03; NCGC00093565-04; NCGC00093565-05; NCGC00093565-06; NCGC00093565-07; NCGC00256508-01; NCGC00259538-01; NCGC00260736-01; AK308306; LS-22779; SC-16119; MLS-0066619.P021; SBI-0050040.P003; TR-003741; A0561; Dicarboxylic acid C9; Nonanedioic acid; AZA; EU-0100051; FT-0626920; ST45053319; C08261; D03034; 21175-EP2269988A2; 21175-EP2270008A1; 21175-EP2275413A1; 21175-EP2287156A1; 21175-EP2292617A1; 21175-EP2301940A1; 21175-EP2314295A1; 21175-EP2374895A1; 21175-EP2380874A2; AB00052140_12; M112324; Q413504; SR-01000075671-1; SR-01000075671-4; SR-01000075671-6; 0C50D8EC-0DB0-4F24-8EFC-2919E1F0D9BF; Z57127532; F8889-5093; InChI=1/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C9H16O4",
"molecular_weight": "188.22",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "Azelaic acid is mainly excreted unchanged in the urine, but undergoes some ß-oxidation to shorter chain dicarboxylic acids.",
"protein_binding": "",
"half_life": "The observed half-lives in healthy subjects are approximately 45 minutes after oral dosing and 12 hours after topical dosing, indicating percutaneous absorption rate-limited kinetics.",
"absorption": "Approximately 4% of the topically applied azelaic acid is systemically absorbed.",
"cid": "2266",
"classification": "D",
"indications": "",
"side_effects": "",
"atc_codes": "D10AX03",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0319",
"name": "Bardoxolone",
"synonyms": "Bardoxolone; CDDO; 218600-44-3; RTA 401; RTA-401; 2-cyano-3,12-dioxooleana-1,9(11)-dien-28-oic acid; UNII-7HT68L8941; 7HT68L8941; C31H41NO4; 2-Cyano-3,12-dioxooleana-1,9-dien-28-oic acid; (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylic acid; (4AS,6AR,6BS,8AR,12AS,14AR,14BS)-11-CYANO-2,2,6A,6B,9,9,12A-HEPTAMETHYL-10,14-DIOXO-1,2,3,4,4A,5,6,6A,6B,7,8,8A,9,10,12A,14,14A,14B-OCTADECAHYDROPICENE-4A-CARBOXYLIC ACID; NSC711193; bardoxolone RTA 401; Bardoxolone (USAN/INN); Bardoxolone [USAN:INN]; SCHEMBL954253; GTPL2717; CDDO(Bardoxolone; RTA 401); CHEMBL1093059; TXGZJQLMVSIZEI-UQMAOPSPSA-N; 2-cyano-3,9-dien-28-oic acid; BCP04662; EX-A1731; RTA 402; CCDO;(4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylic acid; ZINC6019135; 3470AH; BDBM50096348; AKOS032960362; ACN-037514; BCP9000379; CS-0728; DB12651; NSC-711193; AC-29872; HY-14909; SC-94065; BCP0726000037; A3220; ST24046006; D09584; W-5354; J-509189; Q27074871; Oleana-1,9(11)-dien-28-oic acid, 2-cyano-3,12-dioxo-; (+)-2-Cyano-3,12-dioxooleana-1,9(11)-dien-28-oic acid",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C31H41NO4",
"molecular_weight": "491.7",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "400010",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0320",
"name": "Bedaquiline",
"synonyms": "Bedaquiline; TMC207; 843663-66-1; R207910; TMC-207; TMC 207; R 207910; CHEBI:72292; UNII-78846I289Y; (1R,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-(naphthalen-1-yl)-1-phenylbutan-2-ol; R-207910; MMV689758; 78846I289Y; 1-(6-Bromo-2-methoxy-quinolin-3-yl)-4-dimethylamino-2-naphthalen-1-yl-1-phenyl-butan-2-ol; J-500265; 654653-93-7; (1R,2S)-1-(6-Bromo-2-methoxy-quinolin-3-yl)-4-methyl-amino-2-naphthalen-1-yl-1-phenyl-butan-2-ol; (1R,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-(1-naphthyl)-1-phenylbutan-2-ol; (alphaS,betaR)-6-bromo-alpha-[2-(dimethylamino)ethyl]-2-methoxy-alpha-1-naphthalenyl-beta-phenyl-3-quinolineethanol; AIDS-222089; Bedaquiline [USAN:INN]; bedaquilina; bedaquilinum; HSDB 8217; (1R,2S)-1-(6-bromo-2-methoxy-3-quinolyl)-4-(dimethylamino)-2-(1-naphthyl)-1-phenyl-butan-2-ol; AIDS 222089; Tube401; Bedaquiline (USAN/INN); (|AS,|AR)-Bedaquiline; Bedaquiline (TMC-207); C32H31BrN2O2; SCHEMBL295482; CHEMBL376488; DTXSID80903989; AOB87357; ZINC4655029; BDBM50063995; AKOS022186476; ACN-040787; CS-2921; DB08903; bromo-2-methoxy-quinolin-3-yl)-4-dimethylamino-2-naphthalen-1-yl-1-phenyl-butan-2-ol; KS-0000002K; NCGC00348215-01; NCGC00348215-04; 3-Quinolineethanol, 6-bromo-alpha-(2-(dimethylamino)ethyl)-2-methoxy-alpha-1-naphthalenyl-beta-phenyl-, (alphaR,betaS)-rel-; AC-28385; HY-14881; AX8257016; A12327; D09872; Q1257318; R403323; TMC207; R207910; (1R)-(6-Bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2(S)-(1-naphthyl)-1-phenylbutan-2-ol; 1-(1R)-(6-Bromo-2-methoxy-quinolin-3-yl)-4-dimethylamino-2-(2S)-(naphthalen-1-yl)-1-phenyl-butan-2-ol; 3-Quinolineethanol, 6-bromo-alpha-(2-(dimethylamino)ethyl)-2-methoxy-alpha-1-naphthalenyl-beta-phenyl-, (alphaS,betaR)-",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C32H31BrN2O2",
"molecular_weight": "555.5",
"state": "solid",
"clearance": "",
"volume_of_distribution": "Vd, central compartment = 164 L",
"route_of_elimination": "Bedaquiline is primarily elimination in the feces. The urinary excretion of unchanged bedaquiline was < 0.001% of the dose in clinical studies, indicating that renal clearance of unchanged drug is insignificant.",
"protein_binding": ">99.9 bound to plasma proteins.",
"half_life": "Terminal elimination half-life, bedaquiline and M2 = 5.5 months. This long half-life suggests slow release of bedaquiline and M2 from peripheral tissues.",
"absorption": "Tmax, oral dose = 5 hours;\nFood increases the oral bioavailability. AUC increases proportionally up to the highest dose studied in healthy volunteers. When 400 mg of bedaquiline is administered once daily for a week, the peak plasma concentration (Cmax) is 5.5 μg/ml and an AUC of 64.75 μgh/ml.",
"cid": "5388906",
"classification": "J",
"indications": "",
"side_effects": "",
"atc_codes": "J04AK05",
"group": "Drug",
"drug_type": "",
"target": [
"T019002"
],
"function": [
"F020103"
],
"references": [
"RC01194"
]
},
{
"compound_ID": "D0321",
"name": "Bemotrizinol",
"synonyms": "Bemotrizinol; 187393-00-6; Tinosorb S; Bis-ethylhexyloxyphenol Methoxyphenyl Triazine; UNII-PWZ1720CBH; BEMT; PWZ1720CBH; 2,2'-[6-(4-methoxyphenyl)-1,3,5-triazine-2,4-diyl]bis{5-[(2-ethylhexyl)oxy]phenol}; FAT 70'884; 2,2'-(6-(4-Methoxyphenyl)-1,3,5-triazine-2,4-diyl)bis(5-((2-ethylhexyl)oxy)phenol); 6,6'-(6-(4-Methoxyphenyl)-1,3,5-triazine-2,4-diyl)bis(3-((2-ethylhexyl)oxy)phenol); Tinosorb S Aqua; 2,4-bis[4-(2-ethylhexyloxy)-2-hydroxyphenyl]-6-(4-methoxyphenyl)-1,3,5-triazine; 5-[(2-ethylhexyl)oxy]-2-(4-{4-[(2-ethylhexyl)oxy]-2-hydroxyphenyl}-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl)phenol; Bemotrizinol [USAN:INN]; CGF 1607; Tinosorb S (TN); a-2,4-dien-1-one); Bemotrizinol (USAN/INN); Bemotrizinol ;CGF 1607; SCHEMBL77320; SCHEMBL649229; CHEMBL2104956; Bemotrizinol, analytical standard; DTXSID40896984; CHEBI:135857; XVAMCHGMPYWHNL-UHFFFAOYSA-N; HMS3264F07; Pharmakon1600-01503863; BCP20168; NSC759870; ZB0626; AM84647; NSC-759870; NCGC00261970-01; 5-(2-ethylhexoxy)-2-[4-[4-(2-ethylhexoxy)-2-hydroxyphenyl]-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenol; AS-73952; SY041028; MFCD08435974 (97%); D03227; AB01563045_01; J-506774; Q4885134; Bemotrizinol, United States Pharmacopeia (USP) Reference Standard; BEMT; Bis-ethylhexyloxyphenol Methoxyphenyl Triazine; Tinosorb S; 2,2'-[6-(4-Methoxyphenyl)-1,3,5-triazine-2,4-di yl]bis[5-[(2-ethylhexyl)oxy]-phenol]; 2,2'-[6-(4-Methoxyphenyl)-s-triazine-2,4-diyl]bis[5-[(2-ethylhexyl)oxy]phenol]; Phenol, 2,2'-(6-(4-methoxyphenyl)-1,3,5-triazine-2,4-diyl)bis(5-((2-ethylhexyl)oxy)-; (6Z,6'Z)-6,6'-(6-(4-methoxyphenyl)-1,3,5-triazine-2,4(1H,3H)-diylidene)bis(3-((2-ethylhexyl)oxy)cyclohex; 2,2'-[6-(4-Methoxyphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine-2,4-diylidene]bis[5-(2-ethylhexyloxy)-3,5-cyclohexadiene-1-one]; Bemotrizinol;2,2'-[6-(4-Methoxyphenyl)-1,3,5-triazine-2,4-diyl]bis[5-[(2-ethylhexyl)oxy]phenol]",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C38H49N3O5",
"molecular_weight": "627.8",
"state": "solid",
"clearance": "No pharmacokinetic data available.",
"volume_of_distribution": "No pharmacokinetic data available.",
"route_of_elimination": "No pharmacokinetic data available.",
"protein_binding": "No pharmacokinetic data available.",
"half_life": "No pharmacokinetic data available.",
"absorption": "No pharmacokinetic data available.",
"cid": "135487856",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0322",
"name": "Bendazac",
"synonyms": "bendazac; 20187-55-7; Bendazolic acid; Bindazac; Zildasac; 2-(1-Benzyl-1H-indazol-3-yloxy)acetic Acid; Versus; 2-((1-Benzyl-1H-indazol-3-yl)oxy)acetic acid; Bendazaco; Bendazacum; AF 983; 1-Benzylindazole-3-oxyacetic acid; UNII-G4AG71204O; Bendazacum [INN-Latin]; Bendazaco [INN-Spanish]; ((1-(Phenylmethyl)-1H-indazol-3-yl)oxy)acetic acid; EINECS 243-569-2; BRN 0893958; ((1-Benzyl-1H-indazol-3-yl)oxy)acetic acid; [(1-Benzyl-1H-indazol-3-yl)oxy]acetic Acid; Acetic acid, [[1-(phenylmethyl)-1H-indazol-3-yl]oxy]-; ((1-Benzyl-1H-indazol-3-yl)oxy)essigsaeure; CHEBI:31257; BYFMCKSPFYVMOU-UHFFFAOYSA-N; C16H14N2O3; G4AG71204O; ACETIC ACID, ((1-BENZYL-1H-INDAZOL-3-YL)OXY)-; Acetic acid, ((1-(phenylmethyl)-1H-indazol-3-yl)oxy)-; [[1-(Phenylmethyl)-1H-indazol-3-yl]oxy]acetic acid; Dogalina; Iwazac; Bendazac [USAN:BAN:INN:JAN]; Bendazac [USAN:INN:BAN:JAN]; Iwazac (TN); Bendaline (Salt/Mix); (1-Benzyl-1H-indazol-3-yloxy)-acetic acid; Bendazac lysine (Salt/Mix); SCHEMBL25979; Bendazac (JAN/USAN/INN); 5-23-11-00246 (Beilstein Handbook Reference); AF 1934 (Salt/Mix); ZINC1000; Bendazac, >=98% (HPLC); AF 1934 [LYSINE]; CHEMBL1089221; DTXSID1048334; CTK7J5556; ACN-S004308; BCP15554; AKOS000279916; AB07517; AC-6789; AF-1934; KS-1230; TRA0051400; [(1-Benzyl-3-indazolyl)oxy]acetic Acid; CC-05268; LS-11066; OR350059; SC-79896; SY014542; 1-Benzyl-3-[1-(carboxy)methoxy]indazole; AB0011424; AX8043482; TC-306750; B4223; FT-0656910; D01594; Z-4250; [(1-BENZYL-1H-indazol-3-yl)-oxy]acetic acid; MFCD00866158 (97+%); 187B557; 2-[1-(phenylmethyl)indazol-3-yl]oxyethanoic acid; A814317; C-33090; Q862414; 2-[[1-(phenylmethyl)-3-indazolyl]oxy]acetic acid; J-013103; ACETIC ACID, 2-[[1-(PHENYLMETHYL)-1H-INDAZOL-3-YL]OXY]-",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C16H14N2O3",
"molecular_weight": "282.29",
"state": "",
"clearance": "The plasma clearance recorded for bendazac is given as 0.018 to 0.054 L/h/kg with a mean of 0.033 L/h/kg [A39863, A39869].",
"volume_of_distribution": "The volume of distribution documented for bendazac is 0.16 L/kg [A39863, A39869].",
"route_of_elimination": "About 60% of a dose of bendazac is eliminated via the urine as its primary metabolite, 5-hydroxybendazac [A39863, A39869]. Approximately 15% of a dose is eliminated as unchanged drug and bendazac glucuronide in the urine as well[A39863, A39869].",
"protein_binding": "Bendazac is >99% highly bound to plasma albumin protein in healthy subjects [A39863, A39869].",
"half_life": "The plasma elimination half-life recorded for bendazac is given as 1.7 to 5.2 hours, with a mean of 3.5 hours [A39863, A39869].",
"absorption": "Administered as its lysine salt, a 500 mg oral tablet of bendazac is well absorbed into the human body with maximum plasma concentrations Cmax ranging from 35 to 55 mg/L being attained within 0.5 to 1 hour in healthy volunteers after oral administration of a single 500 mg dose [A39863, A39869].",
"cid": "2313",
"classification": "S; M",
"indications": "",
"side_effects": "",
"atc_codes": "M02AA11; S01BC07",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0323",
"name": "Benzethonium",
"synonyms": "benzethonium; Sanizol; Inactisol; Phemerol; UNII-1VU15B70BP; Solamin; benzethonium hydroxide; 1VU15B70BP; 498-77-1; 10172-60-8; Phemersol chloride; Benzethoni chloridum; Formula 144; Caswell No. 614B; BZT (VAN); Benzetonio cloruro [DCIT]; CCRIS 4748; CHEMBL221753; HSDB 567; benzyl-dimethyl-[2-[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]ammonium; Antiseptol (quarternary compound); Benzethonii chloridum [INN-Latin]; NCI-C61494; NSC20200; EINECS 204-479-9; Cloruro de benzetonio [INN-Spanish]; NSC 20200; Chlorure de benzethonium [INN-French]; EPA Pesticide Chemical Code 069154; NCGC00016373-03; CAS-121-54-0; Phemethryn; BztCl; N-benzyl-N,N-dimethyl-2-(2-(4-(2,4,4-trimethylpentan-2-yl)phenoxy)ethoxy)ethanaminium; N-benzyl-N,N-dimethyl-2-{2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}ethanaminium; Bencetonium Chloride; Benzathonium chloride; p-Diisobutylphenoxyethoxyethyl dimethyl benzyl ammonium chloride; Diisobutyl phenoxy ethoxy ethyl dimethyl benzyl ammonium chloride; Benzethonium (parent); 2-(2-(p-(Diisobutyl)phenoxy)ethoxy)ethyl dimethyl benzyl ammonium chloride; Spectrum_000072; benzethonium hydrochloride; Ammonium, benzyldimethyl(2-(2-(p-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)-, chloride; Benzenemethanaminium, N,N-dimethyl-N-(2-(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)- ethyl)-, chloride; Benzenemethanaminium, N,N-dimethyl-N-(2-(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)-, chloride; N,N-Dimethyl-N-(2-(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)- ethyl)benzenemethanaminium chloride; Prestwick0_000708; Prestwick1_000708; Prestwick2_000708; Prestwick3_000708; Spectrum2_000134; Spectrum3_000313; Spectrum4_000248; Spectrum5_000858; cid_8478; BSPBio_000895; BSPBio_001906; KBioGR_000656; KBioSS_000472; benzethonium chloride 1622; DivK1c_000775; SCHEMBL122985; SPBio_000208; SPBio_002816; BPBio1_000985; CHEMBL1182210; DTXSID5046984; C26H40NO2; CHEBI:94725; KBio1_000775; KBio2_000472; KBio2_003040; KBio2_005608; KBio3_001406; NINDS_000775; SIYLLGKDQZGJHK-UHFFFAOYSA-N; ZINC1571009; BDBM50203812; LS-649; STL256857; AKOS022098568; DB11125; MCULE-7555832890; Ammonium, benzyldimethyl(2-(2-(p-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)-; Benzyldimethyl(2-(2-(p-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)ammonium; IDI1_000775; QTL1_000012; NCGC00016373-01; NCGC00016373-02; NCGC00016373-04; NCGC00016373-05; NCGC00016373-09; Benzenemethanaminium, N,N-dimethyl-N-(2-(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl); NCI60_001693; SBI-0051292.P003; Benzethonium chloride [USAN:INN:BAN:JAN]; AB00053793; Benzethonium hydroxide solution 1M in methanol; A19421; AB00053793_12; AB00053793_13; BRD-K72723676-003-10-3; Q27166518; Octylphenox yethoxyethyl dimethyl benzyl ammonium chloride; Octylphenoxyethoxyethyl dimethyl benzyl ammonium chloride; diisobutylpheno xyethoxyethyl dimethyl benzyl ammonium chloride; 2-(2-(4-diisobutylphenoxy)ethoxy)ethyl)dimethylbenzylammoniumchloride; Ammonium, benzyldimethyl(2-(2-(p-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)-,chloride; benzyldimethyl-(p-(1,1,3,3-tetramethylbutyl)phenoxyethoxyethyl) ammonium chloride; dimethyl-(phenylmethyl)-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]ammonium",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C27H42NO2+",
"molecular_weight": "412.6",
"state": "solid",
"clearance": "Pharmacokinetic studies on benzethonium have not been conducted.",
"volume_of_distribution": "Pharmacokinetic studies on benzethonium have not been conducted.",
"route_of_elimination": "Pharmacokinetic studies on benzethonium have not been conducted.",
"protein_binding": "Pharmacokinetic studies on benzethonium have not been conducted.",
"half_life": "Pharmacokinetic studies on benzethonium have not been conducted.",
"absorption": "It is reported that percutaneous absorption of benzethonium is clinically insignificant [L1923]. Benzethonium chloride belongs to the family of",
"cid": "2335",
"classification": "D; R",
"indications": "",
"side_effects": "",
"atc_codes": "D08AJ58; D08AJ08; R02AA09",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0324",
"name": "Beta carotene",
"synonyms": "beta-carotene; 7235-40-7; beta Carotene; beta,beta-Carotene; Provitamin A; Betacarotene; Solatene; Carotaben; Provatene; all-trans-beta-Carotene; Serlabo; Natural Yellow 26; Karotin; KPMK; C.I. Food Orange 5; Solatene (caps); Karotin [Czech]; Food orange 5; Zlut prirodni 26; Betacarotenum [Latin]; Betacaroteno [Spanish]; Lucaratin; BetaVit; beta-Carotin; beta-Karotin; beta;-Carotene; .beta. Carotene; .beta.-Carotene; beta-Carotene, all-trans-; Betacarotenum [INN-Latin]; C.I. 75130; Betacaroteno [INN-Spanish]; Zlut prirodni 26 [Czech]; UNII-01YAE03M7J; NSC 62794; CCRIS 3245; HSDB 3264; Diet,beta-carotene supplementation; E160A; EINECS 230-636-6; all-trans-.beta.-Carotene; CI 40800; CI 75130; MLS001066383; .beta.,.beta.-Carotene; 01YAE03M7J; CHEBI:17579; OENHQHLEOONYIE-JLTXGRSLSA-N; NSC62794; Betacarotene (INN); Betacarotene [INN]; (all-E)-1,1'-(3,7,12,16-Tetramethyl-1,3,5,7,9,11,13,15,17-octadecanonaene-1,18-diyl)bis(2,6,6-trimethylcyclohexene); 1,1'-(3,7,12,16-Tetramethyl-1,3,5,7,9,11,13,15,17-octadecanonaene-1,18-diyl)bis(2,6,6-trimethylcyclohexene), (all E)-; 1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene; NCGC00096081-01; SMR000112037; 2,2'-((1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaene-1,18-diyl)bis(1,3,3-trimethylcyclohex-1-ene); Cyclohexene, 1,1'-(3,7,12,16-tetramethyl-1,3,5,7,9,11,13,15,17-octadecanonaene-1,18-diyl)bis(2,6,6-trimethyl-, (all-E)-; .beta.-Carotene, all-trans-; b-Carotene; Betacaroteno; Betacarotenum; Vetoron; trans-B-Carotene; 1,1'-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaene-1,18-diyl]bis(2,6,6-trimethylcyclohexene); trans-beta-Carotene; beta carotene [USAN]; SR-01000763803; Beta carotene [USAN:USP]; Solate; beta-Carotine; beta -carotene; b,b-Carotene; Carotene, .beta.; Solatene (TN); Cyclohexene, 1,1'-(3,7,12,16-tetramethyl-1,3,5,7,9,11,13,15,17-octadecanonaene-1,18-diyl)bis[2,6,6-trimethyl-, (all-E)-; I(2)-Carotene; Beta Carotene Natural; beta Carotene (USP); trans-.beta.-Carotene; Carotene, Provitamin A; all trans beta-Carotene; all-E-.beta.-Carotene; DSSTox_CID_253; Spectrum5_000505; .beta., .beta.-Carotene; bmse000832; EC 230-636-6; (9Z,13Z)-beta-Carotene; CHEMBL1293; DSSTox_RID_75466; BIDD:PXR0110; DSSTox_GSID_20253; BSPBio_003404; DTXSID3020253; BDBM54988; cid_5280489; HMS501A12; .beta.,.beta.-Carotene, neo B; HMS2091M17; Pharmakon1600-01500143; HY-N0411; ZINC6845076; beta-Carotene, >=97.0% (UV); Tox21_111557; C39H54; CC0205; CCG-36062; LMPR01070001; NSC755910; s1767; AKOS015896682; AC-1869; CS-2262; DB06755; LS-1621; NSC-755910; SDCCGMLS-0066579.P001; IDI1_000330; NCGC00096081-02; AS-13354; H982; SC-19470; ST097774; CAS-7235-40-7; SBI-0051295.P003; AB2000280; N1547; SW220035-1; 3046-EP2298772A1; 3046-EP2308839A1; C02094; D03101; J10299; AB00051925_06; AB00051925_07; beta-Carotene, Vetec(TM) reagent grade, >=93%; 117179-EP2292227A2; 117179-EP2298776A1; C-23129; Q306135; Q-200706; SR-01000763803-2; SR-01000763803-3; SR-01000763803-4; beta-Carotene, Type I, synthetic, >=93% (UV), powder; UNII-N53I4V2IA6 component OENHQHLEOONYIE-JLTXGRSLSA-N; 89648336-F9B2-44A0-9BF8-62E73369CB9B; Beta Carotene, United States Pharmacopeia (USP) Reference Standard; beta-Carotene, Type II, synthetic, >=95% (HPLC), crystalline; beta-Carotene, Pharmaceutical Secondary Standard; Certified Reference Material; (1E,3E,5E,7E,9E,11E,13E,15E,17E)-1,18-bis(2,6,6-trimethylcyclohex-1-enyl)-3,7, 12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaene; (all-E)-1,1'-(3,7,12,16-Tetramethyl-1,3,5, 7,9,11,13,15,17-octadecanonaene-1,18-diyl)bis[2,6, 6-trimethylcyclohexene]; 1,1'-(3,7,12,16-Tetramethyl-1,3,5,7,9,11,13,15,17-octadecanonaene-1,18-diyl)bis(2,6,6-trimethylcyclohexene; 1,18-Bis(2,6,6-trimethyl-1-cyclohexenyl)-3,7,12,16-tetramethyl-1,3,5,7,9,11,13,15,17-octadecanonene",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C40H56",
"molecular_weight": "536.9",
"state": "solid",
"clearance": "The clearance rate of beta-carotene administered orally is 0.68 nmol/L each hour.[A32488]",
"volume_of_distribution": "No pharmacokinetic studies have been performed regarding the volume of distribution of beta-carotene.",
"route_of_elimination": "The unabsorbed carotene is excreted in feces.[L2202] It is also excreted in feces and urine as metabolites.[L2214] The consumption of dietary fiber can increase the fecal excretion of fats and other fat-soluble compounds such as beta-carotene.[L2226]",
"protein_binding": "Beta-carotene is thought to be highly bound to plasma proteins. It is registered to be retained by the chylomicron and transported in VLDL. After absorption, beta-carotene is rapidly transformed to retinol which is highly bound to a high number of plasma proteins.[T164]",
"half_life": "The apparent half-life of beta-carotene is of 6-11 days after initial administration.[A32487]",
"absorption": "After administration of beta-carotene, some of the administered dose is absorbed into the circulatory system unchanged and stored in the fat tissue. The coadministration of beta-carotene and a high-fat content diet is correlated to a better absorption of beta-carotene. The absorption is also dependent on the isomeric form of the molecule where the cis conformation seems to present a higher bioavailability. The absorption of beta-carotene is thought to be performed in 6-7 hours.[L2202]\n\nThe reported AUC of beta-carotene when administered orally from 0 to 440 hours after initial administration was reported to be 26.3 mcg.h/L. The maximal concentration of beta-carotene is attained in a dual pharmacokinetic profile after 6 hours and again after 32 hours with a concentration of 0.58 micromol/L.[A32488]",
"cid": "5280489",
"classification": "D; A",
"indications": "",
"side_effects": "",
"atc_codes": "A11CA02; D02BB01",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0325",
"name": "Capsaicin",
"synonyms": "Capsaicin; 404-86-4; Zostrix; CAPSAICINE; (E)-Capsaicin; Qutenza; Styptysat; E-CAPSAICIN; Axsain; Isodecenoic acid vanillylamide; trans-8-Methyl-N-vanillyl-6-nonenamide; NGX-4010; Capsaicin [USAN]; Caswell No. 158; Transacin; (E)-8-Methyl-N-vanillyl-6-nonenamide; trans-Capsaicin; NCI-C56564; UNII-S07O44R1ZM; NSC 56353; 8-Methyl-N-vanillyl-trans-6-nonenamide; FEMA No. 3404; CCRIS 1588; CHEBI:3374; HSDB 954; C18H27NO3; Capsaicin (JAN/USP); 8-Methyl-N-Vanillyl-6-Nonenamide; 6-Nonenamide, 8-methyl-N-vanillyl-, (E)-; ZOSTRIX (TN); N-(4-Hydroxy-3-methoxybenzyl)-8-methylnon-trans-6-enamide; EINECS 206-969-8; MFCD00017259; EPA Pesticide Chemical Code 070701; (6E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide; BRN 2816484; 8-Methyl-N-vanillyl-6-nonenamide, (E)-; (e)-n-(4-hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide; CHEMBL294199; S07O44R1ZM; (6E)-N-(4-hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide; YKPUWZUDDOIDPM-SOFGYWHQSA-N; 6-Nonenamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-8-methyl-, (E)-; 6-Nonenamide, N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-, (6E)-; NSC56353; Capsaicin [in oleoresin of capsicum]; trans-Capsaicin-d3; NCGC00017337-02; N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide; (E)-N-((4-Hydroxy-3-methoxyphenyl)-methyl)-8-methyl-6-nonenamide; (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide; DSSTox_CID_241; 6-Nonenamide, N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-, (E)-; N-((4-Hydroxy-3-methoxyphenyl)methyl)-8-methyl-6-nonenamide, (E)-; DSSTox_RID_75455; DSSTox_GSID_20241; Ausanil; Vanilloid; 6-Nonenamide, (E)-N-((4-hydroxy-3-methoxy-phenyl)methyl)-8-methyl; Capsaicin (in oleoresin of capsicum); (6E)-N-{[4-hydroxy-3-(methyloxy)phenyl]methyl}-8-methylnon-6-enamide; 6-Nonenamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-8-methyl-, (6E)-; NGX 4010; SR-05000001861; neurotoxic; Isodecenoate; Mioton; Adlea; TNP00277; Capsaicin Patch; (E)-N-[(4-Hydroxy-3-methoxyphenyl)-methyl]-8-methyl-6-nonenamide; ALGRX 4975; epsilon-capsaicin; capsacin(E); Qutenza;Vanilloid; Zostrix HP; Capsaicin,(S); Capsaicin(Qutenza); CAS-404-86-4; Prestwick_204; Capsaicin (Natural); Capsaicin(Vanilloid); depletes Substance P; CAPSAICINOIDS; 1217899-52-9; Citrus Aurantium 30%; Capsaicin [USP:INN]; Citrus Aurantium Extract; 6-Nonenamide, (E)-; Prestwick2_000879; Prestwick3_000879; Spectrum5_000538; CAPSAICIN, NATURAL; CITRUS AURANTIUM PE; UPCMLD-DP092; Bitter orange extract 30%; SCHEMBL8085; SCHEMBL8086; MR3H3; BSPBio_000957; BSPBio_001548; BSPBio_002917; MLS002154049; N-((4-Hydroxy-3-methoxyphenyl)methyl)-8-methyl-6-nonenamide; N-[(4-Hydroxy-3-methoxyphenyl)methyl]-8-methyl-6-nonenamide; Capsaicin, analytical standard; SPECTRUM1501128; Capsaicin, from natural source; BPBio1_001053; GTPL2486; MEGxp0_001448; n-(4-hydroxy-3-methoxybenzyl)-8-methyl-6-nonenamide; (E)-N-[(4-HYDROXY-3-METHOXYPHENYL)METHYL]-8-METHYL-6-NONENAMIDE; DTXSID9020241; UPCMLD-DP092:001; UPCMLD-DP092:002; BDBM20461; BDBM86537; CHEBI:94524; HMS501B16; HMS1361N10; HMS1570P19; HMS1791N10; HMS1921H11; HMS1989N10; HMS2089N11; HMS2092D21; HMS2097P19; HMS2230O23; HMS3402N10; HMS3414F11; HMS3649N15; HMS3678F11; Pharmakon1600-01501128; 8-Methyl-N-vanillyl-6E-nonenamide; NGX-1998; NGX-3781; NGX-7325; NSC_2548; ZINC1530575; Tox21_110817; Tox21_200315; (E)-N-[(4-hydroxy-3-methoxy-phenyl)methyl]-8-methyl-non-6-enamide; [(E)-N-(4-Hydroxy-3-methoxyphenyl)methyl]-8-methyl-6-nonenamide; BBL027836; CC0144; CCG-39908; EI-125; LMFA08020085; N0C781; NSC-56353; NSC757844; STL372889; (E)8-methyl-N-vanillyl-6-Nonenamide; AKOS007930159; CS-1518; DB06774; KS-5181; LS-2138; MCULE-8056866140; NSC-757844; RTC-030399; SDCCGMLS-0066678.P001; TQ-1018; Capsaicin, >=95%, from Capsicum sp.; IDI1_000354; IDI1_034018; SMP2_000337; NCGC00017337-03; NCGC00017337-04; NCGC00017337-05; NCGC00017337-06; NCGC00017337-07; NCGC00017337-08; NCGC00017337-09; NCGC00017337-10; NCGC00017337-11; NCGC00017337-12; NCGC00017337-13; NCGC00017337-18; NCGC00090853-01; NCGC00090853-02; NCGC00090853-03; NCGC00090853-04; NCGC00090853-06; NCGC00090853-07; NCGC00090853-08; NCGC00090853-09; NCGC00090853-10; NCGC00090853-11; NCGC00090853-12; NCGC00257869-01; AC-10114; CAS_404-86-4; HY-10448; N735; SC-19636; SMR000718774; ST057183; Nonenamide, 8-methyl-N-vanillyl-, (E)-; SBI-0052593.P002; TC-030399; 4CH-016296; FT-0082538; M1149; N1667; (E)-8-Methyl-N-vanillyl-6-nonenamide(8cl); Capsaicin (8-Methyl-N-vanillyl-6-nonenamide); C06866; D00250; W-5044; AB00053098-11; AB00053098_12; Capsaicin, from Capsicum sp., >=50% (HPLC); N-[(4-hydroxy-3-methoxy-phenyl)methyl]nonanamide; Q273169; 6-Nonenamide, 8-methyl-N-vanillyl-, (E)- (8CI); SR-05000001861-1; SR-05000001861-4; SR-05000001861-5; SR-05000001861-6; SR-05000001861-9; BRD-K37056290-001-01-1; BRD-K50590187-001-06-6; Capsaicin, certified reference material, TraceCERT(R); N-(3-Methoxy-4-hydroxybenzyl)-8-methyl-6-nonenamide; N-(4-hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide; Capsaicin, European Pharmacopoeia (EP) Reference Standard; UNII-UW86K581WY component YKPUWZUDDOIDPM-SOFGYWHQSA-N; (6E)-N-(4-Hydroxy-3-methoxybenzyl)-8-methyl-6-nonenamide #; Capsaicin, United States Pharmacopeia (USP) Reference Standard; N-[(4-hydroxy-3-methoxyphenyl)methyl]-6E-8-methyl-nonenamide; (E)-N-[(4-Hydroxy-3-methoxyphenyl)methyl]-8-methyl-6-nonenamide.; CAPSAICIN (2444-46-4 NONIVAMIDE (SYNTHETIC CAPSAICIN)); trans-N-((4-Hydroxy-3-methoxyphenyl)methyl)-8-methyl-6-nonenamide; Capsaicin, Pharmaceutical Secondary Standard; Certified Reference Material; Nonenamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-8 -methyl-, (E)-",
"trade_name": "",
"abbrev_name": "",
"description": "Class C Complex I inhibitors; quinol antagonist; active component of chili peppers; topical analgesic; capsaicinoids; TRPV1 agonist\n",
"molecular_formula": "C18H27NO3",
"molecular_weight": "305.4",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "It is proposed that capsaicin mainly undergoes renal excretion, as both the unchanged and glucuronide form. A small fraction of unchanged compound is excreted in the feces and urine. _In vivo_ animal studies demonstrates that less than 10 % of an administered dose was found in faces after 48 h [A32319].",
"protein_binding": "",
"half_life": "Following oral ingestion of equipotent dose of 26.6 mg of pure capsaicin, the half life was approximately 24.9 ± 5.0 min [A32319]. Following topical application of 3% solution of capsaicin, the half-life of capsaicin was approximately 24 h [A32319]. The mean population elimination half-life was 1.64 h following application of a topical patch containing 179 mg of capsaicin [A32319].",
"absorption": "**Oral**: Following oral administration, capsaicin may be absorbed by a nonactive process from the stomach and whole intestine with an extent of absorption ranging between 50 and 90%, depending on the animal [A32319]. The peak blood concentration can be reached within 1 hour following administration [A32319]. Capsaicin may undergo minor metabolism in the small intestine epithelial cells post-absorption from the stomach into the small intestines. While oral pharmacokinetics information in humans is limited, ingestion of equipotent dose of 26.6 mg of pure capsaicin, capsaicin was detected in the plasma after 10 minutes and the peak plasma concentration of 2.47 ± 0.13 ng/ml was reached at 47.1 ± 2.0 minutes [A32319].\n\n**Systemic**: Following intravenous or subcutaneous administration in animals, the concentrations in the brain and spinal cord were approximately 5-fold higher than that in blood and the concentration in the liver was approximately 3-fold higher than that in blood [A32319]. \n\n**Topical**: Topical capsaicin in humans is rapidly and well absorbed through the skin, however systemic absorption following topical or transdermal administration is unlikely [A32319]. For patients receiving the topical patch containing 179 mg of capsaicin, a population analysis was performed and plasma concentrations of capsaicin were fitted using a one-compartment model with first-order absorption and linear elimination. The mean peak plasma concentration was 1.86 ng/mL but the maximum value observed in any patient was 17.8 ng/mL [A32319].",
"cid": "1548943",
"classification": "N; M",
"indications": "Diabetes mellitus; Neuralgia; Pain; Post herpetic neuralgia",
"side_effects": "Pruritus (2e-04); Application site dryness; Application site erythema; Application site oedema; Application site pain; Application site papules; Application site pruritus; Application site swelling; Bronchitis; Hypertension; Instillation site pain; Nasopharyngitis; Nausea; Sinusitis; Vomiting",
"atc_codes": "N01BX04; M02AB01",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T002",
"T408"
],
"function": [
"F0108",
"F0201",
"F020103",
"F020403",
"F0303"
],
"references": [
"RC01367",
"RC01368",
"RC04038",
"RC04162",
"RC04286",
"RC04410",
"RC04534",
"RC04916"
]
},
{
"compound_ID": "D0326",
"name": "Carbamide peroxide",
"synonyms": "Urea hydrogen peroxide; CARBAMIDE PEROXIDE; 124-43-6; Percarbamide; Urea peroxide; Urea dioxide; Urea hydroperoxide; Hydroperit; Hydroperite; Percarbamid; Perhydrit; Thenardol; Hyperol; Ortizon; Perhydrol-Urea; Hydrogen peroxide urea; Hydrogen peroxide carbamide; Murine Ear Drops; Carbamide peroxide, solution; Urea compound with hydrogen peroxide (1:1); Proxigel; UNII-31PZ2VAU81; Ureahydrogenperoxide; Hydrogen peroxide-Urea adduct; EINECS 204-701-4; NSC 24852; UN1511; Carbamide peroxide [USP]; Urea hydrogen peroxide adduct; Urea, compd. with hydrogen peroxide (H2O2) (1:1); 31PZ2VAU81; Hydrogen peroxide, compd. with urea (1:1); Urea, compd. with hydrogen peroxide (1:1); CHEBI:75178; Carbamide peroxide (USP); Q-200793; hydrogen peroxide; urea; Debrox; Gly-oxide; Thera-ear; Ear Wax Treatment; Auro Ear Wax Remover; Hydrogen peroxide--urea; Carbamide Peroxide [USAN]; per carbamide; Carbamide Peroxide Otic Solution; Urea hydrogen peroxide, 1 g tablets, stabilized, contains 35 wt% H2O2; hydrogen peroxide;urea; urea-hydrogen peroxide; urea.H2O2; Hydrogen peroxide.Urea; H2O2 Urea; Murine ear drops (TN); DSSTox_CID_4726; WLN: ZVZ & QQ; DSSTox_RID_77512; DSSTox_GSID_24726; hydrogen peroxide urea adduct; CH6N2O3; KSC175S3F; Urea hydrogen peroxide, 97%; CHEMBL3184026; DTXSID9024726; CTK0H5932; KS-00000UMH; AQLJVWUFPCUVLO-UHFFFAOYSA-N; hydrogen peroxide - urea (1:1); NSC24852; Tox21_302451; Urea compound with hydrogen peroxide; ANW-18240; LS-697; NSC-24852; Hydrogen peroxide-Urea adduct, tablet; AKOS015904087; DB11129; Hydrogen peroxide-urea compound (1:1); NCGC00256660-01; (H2 N)2 C O (H2 O2); CAS-124-43-6; Hydrogen peroxide, compd. with urea(1:1); Urea, compd. with hydrogen peroxide(1:1); RT-000276; FT-0650669; X9583; Urea hydrogen peroxide [UN1511] [Oxidizer]; D03383; Urea hydrogen peroxide [UN1511] [Oxidizer]; A805233; J-005078; J-525152; Q2633879; Hydrogen peroxide-Urea adduct, USP, 96.0-102.0%; Hydrogen peroxide-Urea adduct, powder, 15-17% active oxygen basis; Hydrogen peroxide-Urea adduct, purum p.a., \"rapid-soluble\", tablet (1 g each); UHP",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "CH6N2O3",
"molecular_weight": "94.07",
"state": "solid",
"clearance": "No established pharmacokinetic data.",
"volume_of_distribution": "No established pharmacokinetic data.",
"route_of_elimination": "No established pharmacokinetic data.",
"protein_binding": "No established pharmacokinetic data.",
"half_life": "No established pharmacokinetic data.",
"absorption": "Upon treatment into the external auditory canal or the dental cavity, exposure to carbamide peroxide is limited to the intimate contact with the treated area without any systemic absorption.",
"cid": "31294",
"classification": "D",
"indications": "",
"side_effects": "",
"atc_codes": "D08AX01",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0328",
"name": "CHGN111",
"synonyms": "",
"trade_name": "",
"abbrev_name": "",
"description": "an inhibitor of the mitochondrial enzyme CLK-1; a demethoxyubiquinone hydroxylase",
"molecular_formula": "X",
"molecular_weight": "X",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "X",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0329",
"name": "Ciclopirox",
"synonyms": "CICLOPIROX; 29342-05-0; Loprox; Penlac; Ciclopiroxum; HOE 296b; Terit; Ciclopiroxum [INN-Latin]; HOE-296b; 2(1H)-Pyridinone, 6-cyclohexyl-1-hydroxy-4-methyl-; 6-Cyclohexyl-1-hydroxy-4-methyl-2(1H)-pyridone; 6-cyclohexyl-1-hydroxy-4-methylpyridin-2(1H)-one; UNII-19W019ZDRJ; Ciclopirox (Penlac); 6-Cyclohexyl-1-hydroxy-4-methyl-2(1H)-pyridinone; EINECS 249-577-2; Loprox (TN); 19W019ZDRJ; CHEBI:453011; SCKYRAXSEDYPSA-UHFFFAOYSA-N; 2(1H)-Pyridone, 6-cyclohexyl-1-hydroxy-4-methyl-; cyclopirox; AK544043; Stieprox; Ciclopirox gel; cyclopyroxolamine; Loprox cream; Loprox Gel; Ciclopirox Olamin; Ciclopirox-Olamin; Dafnegin-CSC; 6-cyclohexyl-4-methyl-1-oxidanyl-pyridin-2-one; W-106995; 6-CYCLOHEXYL-1-HYDROXY-4-METHYL-1H-PYRIDIN-2-ONE; MLS002153867; Ciclopirox [USAN:BAN:INN]; Penlac (TN); Ciclopirox (USP/INN); 6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one; CNL8; SMR001233223; Ciclopirox-Penlac; Ciclopirox [USAN:USP:INN:BAN]; 2-aminoethanol;6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one; Prestwick0_000541; Prestwick1_000541; Prestwick2_000541; Prestwick3_000541; Spectrum2_000146; Spectrum3_000351; Spectrum4_000288; Spectrum5_000747; HOE296b; 6-cyclohexyl-1-hydroxy-4-methyl-pyridin-2-one; CHEMBL1413; SCHEMBL34424; BSPBio_000581; BSPBio_002041; KBioGR_000816; 6-Cyclohexyl-1-hydroxy-4-methyl-2-(1H)-pyridone; cid_38911; KSC563C4H; BIDD:GT0080; (6-Cyclohexyl-1-hydroxy-4-methyl-2(1H)-pyridone); SPBio_000252; SPBio_002502; BPBio1_000641; ZINC1145; Ciclopirox, >=98% (HPLC); DTXSID9048564; BDBM66087; CTK4G3143; KBio3_001261; HMS3656I12; BCP28530; HY-B0450; KS-00000L3N; BG0571; s2528; AKOS015895717; AB06517; CS-2561; DB01188; KS-5085; NCGC00017112-04; NCGC00017112-05; NCGC00017112-06; NCGC00017112-08; NCGC00017112-11; NCGC00178850-01; NCGC00178850-02; AC-24195; CC-25776; SC-17361; SBI-0206690.P002; AB0011605; AB2000628; DB-047566; HOE 296; HOE-296;Ciclopiroxum; Penlac; LS-174247; 1-hydroxy-4-methyl-6-cyclohexyl-2-pyridone; FT-0602961; SW196923-5; 6-cyclohexyl-1-hydroxy-4-methyl-2-pyridinone; D03488; AB00053438_09; AB00053438_10; AB00053438_11; 342C050; A819878; C-10474; Q419468; Batrafen; Loprox;Mycoster;Stieprox;HOE 296b;Penlac; SR-05000001589-5; 6-cyclohexyl-1-hydroxy-4-methyl-2(1 H )-pyridinone; 6-Cyclohexyl-1-hydroxy-4-methyl-2(1H)-pyridinone #; BRD-K13044802-213-04-1; BRD-K13044802-213-09-0; 2-aminoethanol;6-cyclohexyl-1-hydroxy-4-methyl-2-pyridone; 6-cyclohexyl-1-hydroxy-4-methyl-1,2-dihydropyridin-2-one; Ciclopirox, European Pharmacopoeia (EP) Reference Standard; 2-aminoethanol;6-cyclohexyl-1-hydroxy-4-methyl-2-pyridinone; 2-azanylethanol;6-cyclohexyl-4-methyl-1-oxidanyl-pyridin-2-one; Ciclopirox, United States Pharmacopeia (USP) Reference Standard",
"trade_name": "",
"abbrev_name": "",
"description": "a synthetic antifungal agent for topical dermatologic treatment",
"molecular_formula": "C12H17NO2",
"molecular_weight": "207.27",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "Most of the compound is excreted either unchanged or as glucuronide. After oral administration of 10 mg of radiolabeled drug (14C-ciclopirox) to healthy volunteers, approximately 96% of the radioactivity was excreted renally within 12 hours of administration. Ninety-four percent of the renally excreted radioactivity was in the form of glucuronides.",
"protein_binding": "Protein binding is 94-97% following topical administration.",
"half_life": "1.7 hours for 1% topical solution.",
"absorption": "Rapidly absorbed after oral administration. Mean absorption of ciclopirox after application to nails of all twenty digits and adjacent 5 millimeters of skin once daily for 6 months in patients with dermatophytic onychomycoses was less than 5% of the applied dose. Ciclopirox olamine also penetrates into hair and through the epidermis and hair follicles into sebaceous glands and dermis.",
"cid": "2749",
"classification": "G; D",
"indications": "Body tinea; Candida infection; Dandruff; Diabetes mellitus; Diabetic neuropathy; Epilepsy; Fungal infection; Fungal skin infection; Herpes simplex; Herpes zoster; Hypersensitivity; Infection; Nail disorder; Onychomycosis; Pityriasis; Skin candida; Tinea cruris; Tinea infection; Tinea pedis",
"side_effects": "",
"atc_codes": "G01AX12; D01AE14",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0330",
"name": "Cintredekin Besudotox",
"synonyms": "",
"trade_name": "",
"abbrev_name": "",
"description": "specific tumor-targeting agent; a recombinant chimeric protein (it is composed of interleukin-13 (IL13), a pleiotropic immunoregulatory cytokine, linked to a mutated form of pseudomonas exotoxin A)",
"molecular_formula": "X",
"molecular_weight": "X",
"state": "liquid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "X",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0331",
"name": "Clofarabine",
"synonyms": "Clofarabine; 123318-82-1; Clolar; Evoltra; Clofarex; CAFdA; clofarabina; clofarabinum; C1-F-Ara-A; UNII-762RDY0Y2H; 2-Chloro-9-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-9H-purin-6-amine; CHEBI:681569; 2-Chloro-9-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)adenine; (2R,3R,4S,5R)-5-(6-amino-2-chloropurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol; 762RDY0Y2H; (2R,3R,4S,5R)-5-(6-amino-2-chloro-9H-purin-9-yl)-4-fluoro-2-(hydroxymethyl)tetrahydrofuran-3-ol; 2-Chloro-9-(2-deoxy-2-fluoro-b-D-arabinofuranosyl)-9H-purin-6-amine; 9H-Purin-6-amine, 2-chloro-9-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-; DSSTox_CID_26437; DSSTox_RID_81613; DSSTox_GSID_46437; Clofarabine [USAN]; Cl-F-Ara-A; Cl-F-araA; 2-Chloro-9-(2-Deoxy-2-Fluoro-B -D-Arabinofuranosyl)-9h-Purin-6-Amine; 5-(6-amino-2-chloro-purin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol; (2R,3R,4S,5R)-5-(6-amino-2-chloro-9H-purin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol; (2R,3R,4S,5R)-5-(6-amino-2-chloro-purin-9-yl)-4-fluoro-2-(hydroxymethyl)tetrahydrofuran-3-ol; Clolar (TN); CAS-123318-82-1; 2-Cl-2'-F-araA; C10H11ClFN5O3; Clofarabin; Clofarabine [USAN:INN:BAN]; NCGC00164553-01; PubChem19116; Clofarabine,Clolar, Evoltra; SCHEMBL9040; CHEMBL1750; CFB; MLS003915615; 3S211048; Clofarabine (JAN/USAN/INN); BIFK0045; GTPL6802; DTXSID5046437; Clofarabine, >=98% (HPLC); WDDPHFBMKLOVOX-AYQXTPAHSA-N; HMS2090A07; HMS3413J15; HMS3677J15; 2-chloro-9-(2'-deoxy-2'-fluoro-beta-D-arabinofuranosyl)adenine; ACT05522; BCP23422; HY-A0005; ZINC3798247; Tox21_112182; AC-274; BDBM50247921; MFCD00871077; s1218; AKOS005063562; AKOS015919355; Tox21_112182_1; API0002064; BCP9000540; CS-0373; DB00631; MCULE-2276059681; SAR-393590; SB17339; NCGC00164553-02; AS-12958; CC-25917; SC-22779; SMR002530055; BCP0726000280; LS-126466; FT-0082882; FT-0601617; ST24046359; SW218080-2; KS-00000650; D03546; W-5182; AB00430247-03; AB00430247-04; AB00430247_06; 318C821; C-18934; SR-01000930565; Q5134875; SR-01000930565-3; Z1557400138; 2-chloro-9-(2-deoxy-2-fluoro-beta-d-arabinofuranosyl)-adenine; 2-Chloro-9-(2-deoxy-2-fluoro-?-D-arabinofuranosyl)-9H-purin-6-amine; 9H-Purine-6-amine,2-chloro-9-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-; (2R,3R,4S,5R)-5-(6-amino-2-chloropurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol, 2-chloro-2'-arabino-fluoro-2'-deoxyadenosine",
"trade_name": "Clolar, Evoltra",
"abbrev_name": "",
"description": "synthetic purine nucleoside; antimetabolite antineoplastic agent",
"molecular_formula": "C10H11ClFN5O3",
"molecular_weight": "303.68",
"state": "solid",
"clearance": "* 28.8 L/h/m2 [Pediatric patients (2 - 19 years old) with relapsed or refractory acute lymphoblastic leukemia (ALL) or acute myelogenous leukemia (AML) receiving 52 mg/m2 dose]",
"volume_of_distribution": "* 172 L/m2",
"route_of_elimination": "Based on 24-hour urine collections in the pediatric studies, 49 - 60% of the dose is excreted in the urine unchanged.",
"protein_binding": "47% bound to plasma proteins, predominantly to albumin.",
"half_life": "The terminal half-life is estimated to be 5.2 hours.",
"absorption": "",
"cid": "119182",
"classification": "L",
"indications": "Acute leukaemia; Acute lymphocytic leukaemia; Acute myeloid leukaemia",
"side_effects": "Anxiety (0.0012); Asthenia (0.0014); Body temperature increased (0.0019); Dermatitis (0.0021); Diarrhoea (0.002); Fatigue (0.0014); Flushing (0.0011); Headache (0.0024); Leukopenia (0.00877); Lymphopenia (0.00823); Mucosal inflammation (0.0011); Neutropenia (0.00637); Pruritus (0.002); Rash (0.0021); Tachycardia (0.0035); Vomiting (0.0059); Alanine aminotransferase increased; Anaemia; Aspartate aminotransferase increased; Blood bilirubin increased; Blood creatinine increased; Thrombocytopenia",
"atc_codes": "L01BB06",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC03876"
]
},
{
"compound_ID": "D0332",
"name": "Clove oil",
"synonyms": "92742-29-5; KSC647G2F; (R)-Methyl 2-amino-3-(1H-imidazol-4-yl)propanoate hydrochloride; D-Histidine methyl ester, HCl; SCHEMBL4389612; CHEMBL1222273; CTK5E7322; VEEIFXWJNCAVEQ-FYZOBXCZSA-N; KS-00000Y6I; AKOS022184699; RTR-025351; AS-57594; D-Histidine Methyl Ester Monohydrochloride; D-HISTIDINE METHYL ESTER HYDROCHLORIDE; FT-0623991; METHYL (2R)-2-AMINO-3-(1H-IMIDAZOL-4-YL)PROPANOATE HYDROCHLORIDE",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C7H12ClN3O2",
"molecular_weight": "205.64",
"state": "liquid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "In a pharmacokinetic study, the metabolism of eugenol (the primary constituent of clove oil) was investigated in healthy male and female volunteers. It was quickly absorbed and metabolized after oral administration and was almost completely excreted in the urine within 24 hours of ingestion [A33147].",
"protein_binding": "",
"half_life": "In a pharmacokinetic study, average half-life values of eugenol in plasma and blood were long (14.0 and 18.3 h, respectively), suggesting a potential accumulation of the drug following repeated administrations [A33137].",
"absorption": "Clove oil is rapidly absorbed through the skin and is used in patented systems for dermal drug delivery to enhance drug uptake from skin patch delivery systems [F108].",
"cid": "12658395",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0334",
"name": "Cupric oxide",
"synonyms": "Cu(II) oxide; CHEBI:75955; 1344-70-3; Copper(II) oxide 325 mesh powder; Cupricoxide; EINECS 215-706-6; CB 250; Cupric oxide,granular; Cuprum oxydatum nigrum; Epitope ID:190360; Copper(II) oxide on alumina; CHEMBL1909057; DTXSID5034488; KKCXRELNMOYFLS-UHFFFAOYSA-N; DB11134; SC-79684; Q421787",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "CuO",
"molecular_weight": "79.55",
"state": "solid",
"clearance": "No pharmacokinetic data available.",
"volume_of_distribution": "Following exposure to cupric oxide aerosols containing 50-80 mg/m^3 in rats, particles were found in plasma 6 hours post-exposure and copper oxide was also observed in the proximal convoluted tubules of the kidney [L2422].",
"route_of_elimination": "Copper undergoes biliary excretion [L2422].",
"protein_binding": "Once dissociated, copper is known to bind to serum albumin, ceruloplasmin, and other low-molecular weight complexes [L2422].",
"half_life": "No pharmacokinetic data available.",
"absorption": "Following oral administration, copper is mainly absorbed through the gastrointestinal tract from the stomach, duodenum, and jejunum. All other intakes of copper (inhalation and dermal) are insignificant in comparison to the oral route. The bioavailability of copper from cupric oxide depends on the solubilization of the oxide in the gastrointestinal tract [L2437]. According to studies on cattle and swine, copper oxide displays low absorption rate and high excretion rate [L2422]. In rats exposed to aerosols containing 50-80 mg/m^3, pulmonary uptake of copper oxide occurred [L2422].",
"cid": "164827",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0335",
"name": "D-alpha-Tocopherol acetate",
"synonyms": "Vitamin E acetate; alpha-Tocopherol acetate; Tocopherol acetate; Alfacol; 58-95-7; Ecofrol; DL-alpha-Tocopheryl acetate; D-alpha-tocopherol acetate; Contopheron; Tofaxin; Econ; Ephynal acetate; Tokoferol acetate; Tocopherex; Evipherol; Fertilvit; Tocophrin; Erevit; Gevex; Juvela; Combinal E; Tocopheryl acetate; D-ALPHA-TOCOPHERYL ACETATE; (+)-alpha-Tocopherol acetate; Epsilan-M; E-Toplex; E-Ferol; Endo E Dompe; Spondyvit; Copherol 1250; Covitol 1100; Covitol 1360; Vitamin Ealpha acetate; alpha-Tocopheryl acetate; 7695-91-2; Nanotopes; Simmyungsaengmosu; NatAc; Tinoderm E; Vitamin E acetate, d-; Natur-E granulate; DL-alpha tocopheryl acetate; Lutavit E 50; (+)-alpha-Tocopheryl acetate; UNII-A7E6112E4N; CCRIS 4389; (+-)-alpha-Tocopherol acetate; DL-alpha-Tocopherol acetate; alpha-Tocopherol acetate, all rac; (R,R,R)-alpha-Tocopheryl acetate; .alpha.-Tocopherol acetate; C31H52O3; EINECS 200-405-4; EINECS 231-710-0; Ephynal; D-.alpha.-Tocopherol acetate; Tocopheryl acetate, D-alpha-; Vitamin E Acetate (D-form); UNII-9E8X80D2L0; Vectan (TN); BRN 0097512; CCRIS 6054; (2R,4'R,8'R)-alpha-Tocopheryl acetate; CHEBI:32321; d-|ATocopheryl Acetate; ZAKOWWREFLAJOT-CEFNRUSXSA-N; A7E6112E4N; alpha-Tocopherol acetate, (2R,4'R,8'R)-; alpha-Tocopherylis acetas; D-|A-Tocopherol acetate; Tocopherolacetate, alpha-; EINECS 257-757-7; O-Acetyl-alpha-tocopherol; MFCD00072042; MFCD00072052; DL-alpha-Tocopherylacetate; Tocopherol acetate [JAN]; DSSTox_CID_1356; .alpha.-Tocopheryl acetate; DSSTox_RID_76104; DSSTox_RID_78863; Tocopherol acetate (JP17); CHEMBL1047; DSSTox_GSID_21356; DSSTox_GSID_31096; NCGC00166253-02; SCHEMBL22298; 52225-20-4; 3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-yl acetate; MLS001335985; MLS001335986; DL-|A-Tocopherol acetate; (+)-.alpha.-Tocopherol acetate; (+)-.alpha.-Tocopheryl acetate; D-alpha-Tocopheryl acetate, 97%; EC 231-710-0; T-3376; 9E8X80D2L0; HMS2230C20; DL-alpha-Tocopheryl acetate, 98%; Vitamin E Acetate Oil - Synthetic; 5-17-04-00169 (Beilstein Handbook Reference); Tox21_111491; Tox21_111564; Tox21_113467; Tox21_303444; ZINC4172337; 2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-6-cromanyl acetate, (+)-; 6-Cromanol, 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, acetate, (+)-; LS-245; (R,R,R)-.alpha.-Tocopheryl acetate; 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, acetate; 6-Chromanol, 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, acetate, (+)-; AKOS025117621; Tox21_113467_1; 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, acetate, (2R-(2*(4R*,8R*)))-; 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, acetate, [2R-[2R*(4R*,8R*)]]-; 3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl acetate, (2R-(2*(4R*,8R*)))-; CAS-58-95-7; (+-)-alpha-Tocopherol Acetateacid ester; NCGC00095255-08; NCGC00166253-01; NCGC00257504-01; AK176402; AS-13784; LS-39402; LS-53371; SC-16401; SC-18242; SMR000857327; CAS-52225-20-4; (2R,4'R,8'R)-.alpha.-Tocopheryl acetate; FT-0624407; DL-alpha-Tocopherol acetate, >=96% (HPLC); DL-alpha-Tocopherol acetate, 50% powder form; 6-Chromanol, 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, acetate; C13202; D01735; DL-alpha-Tocopherylacetate (Vitamin E acetate); J10308; DL-alpha-Tocopherol acetate, analytical standard; DL-alpha-Tocopherol acetate, EP/USP/FCC grade; [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chroman-6-yl] acetate; 3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-b- enzopyran-6-ol, acetate; [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] acetate; [2R*(4R*,8R*)]-()-3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-yl acetate; 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-, acetate, (2R)-; 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-, acetate, (2R)-rel-; 54-22-8; Q-201933; vitamin E acetate, (2R-(2R*(4R*,8R*)))-isomer; W-109259; ECA8C22F-B5D3-4B88-A9B7-AF6C600001BB; vitamin E acetate, ((2R*(4R*,8R*))-(+-))-isomer; DL-alpha-Tocopherol acetate, tested according to Ph.Eur.; UNII-WR1WPI7EW8 component ZAKOWWREFLAJOT-CEFNRUSXSA-N; (+)-alpha-Tocopherol acetate, oil or semi-solid, ~1360 IU/g, semisynthetic; Alpha Tocopheryl Acetate, United States Pharmacopeia (USP) Reference Standard; alpha-Tocopherol acetate, European Pharmacopoeia (EP) Reference Standard; DL-alpha-Tocopherol acetate, certified reference material, TraceCERT(R); (+)-alpha-Tocopherol acetate, BioReagent, suitable for insect cell culture, ~1360 IU/g; 2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-chromen-6-yl acetate #; Tocopheryl Acetate, a, Pharmaceutical Secondary Standard; Certified Reference Material; (2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-yl acetate; (2R*(4R*,8R*))-(1)-3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-yl acetate; [2R-[2R*(4R,8R*)]]-3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ol acetate; 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-, 6-acetate, (2R)-; 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, 6-acetate; 2H-1-benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, acetate,; 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, acetate,(2R*(4R*,8R*))-(+-)-; all-rac-2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-yl acetate; All-rac-alpha-tocopheryl acetate for peak identification, European Pharmacopoeia (EP) Reference Standard; Copherol 12250; O-Acetyl-|A-tocopherol; AC1L3BMH; DL-|A-Tocopheryl acetate; D-ALPHA-TOCOPHEROLACETATE; AC1Q1PB2; (+)-|A-Tocopherol acetate; (+)-|A-Tocopheryl Acetate; all-rac-|A-Tocopheryl acetate; vitamin-e-acetate; (R,R,R)-|A-Tocopheryl Acetate; 1406-70-8; (2R,4'R,8'R)-|A-Tocopherol Acetate; (2R,4'R,8'R)-|A-Tocopheryl Acetate; DTXSID1031096; DTXSID3021356; MolPort-003-928-528; HY-B1278; 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chromanol acetate; (2R)-3,4-Dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-ol 6-Acetate; 2H-1-Benzopyran-6-ol,3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-,6-acetate, (2R)-; CS-0013056; Q364160; 12741-00-3; 133-80-2; 1407-18-7; 26243-95-8",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C31H52O3",
"molecular_weight": "472.7",
"state": "",
"clearance": "_In addition to any following information, owing to d-alpha-Tocopherol acetate's closely related chemical nature with alpha-Tocopherol acetate, please also refer to the drug information page for alpha-Tocopherol acetate for further data._",
"volume_of_distribution": "_In addition to any following information, owing to d-alpha-Tocopherol acetate's closely related chemical nature with alpha-Tocopherol acetate, please also refer to the drug information page for alpha-Tocopherol acetate for further data._",
"route_of_elimination": "_In addition to any following information, owing to d-alpha-Tocopherol acetate's closely related chemical nature with alpha-Tocopherol acetate, please also refer to the drug information page for alpha-Tocopherol acetate for further data._",
"protein_binding": "_In addition to any following information, owing to d-alpha-Tocopherol acetate's closely related chemical nature with alpha-Tocopherol acetate, please also refer to the drug information page for alpha-Tocopherol acetate for further data._\n\nBound to beta-lipoproteins in blood.",
"half_life": "_In addition to any following information, owing to d-alpha-Tocopherol acetate's closely related chemical nature with alpha-Tocopherol acetate, please also refer to the drug information page for alpha-Tocopherol acetate for further data._",
"absorption": "_In addition to any following information, owing to d-alpha-Tocopherol acetate's closely related chemical nature with alpha-Tocopherol acetate, please also refer to the drug information page for alpha-Tocopherol acetate for further data._\n\n50 to 80% absorbed from gastrointestinal tract.",
"cid": "86472",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0336",
"name": "Dequalinium",
"synonyms": "dequalinium; Dequadin; 6707-58-0; UNII-E7QC7V26B8; Dequavagyn; Decamine; Labosept; Sorot; GNF-Pf-5483; E7QC7V26B8; CHEBI:41872; Polycidine; Dekadin; Dekamin; Dequavet; Oralgol; Rumilet; Sanoral; Sentril; Ivazil; Dequadin chloride; Dequalin chloride; C30H40N4; DEQ; 1,1'-decane-1,10-diylbis(4-amino-2-methylquinolinium); Quinolinium, 1,1'-(1,10-decanediyl)bis(4-amino-2-methyl-; Solvidont; 1-[10-(4-amino-2-methylquinolyl)decyl]-2-methyl-4-quinolylamine; CHEMBL121663; 1-[10-(4-Amino-2-methyl-quinolin-1-yl)decyl]-2-methyl-quinolin-4-amine dichloride; Dequalinium Diacetate; NCGC00015339-02; CAS-522-51-0; Dequqlinium; Spectrum_000151; Tocris-0674; Prestwick0_000388; Prestwick1_000388; Prestwick2_000388; Prestwick3_000388; Spectrum2_000650; Spectrum4_000757; Spectrum5_001086; Lopac-D-3768; NCIMech_000681; Efisol (*dichloride salt*); Evazol (*dichloride salt*); Lopac0_000338; BSPBio_000575; Erosept (*dichloride salt*); KBioGR_001114; KBioSS_000631; Decamine (*dichloride salt*); Dequadin (*dichloride salt*); DivK1c_000752; Grocreme (*dichloride salt*); SCHEMBL149457; SPBio_000659; SPBio_002496; BPBio1_000633; CHEMBL333826; GTPL2313; DTXSID4046941; KBio1_000752; KBio2_000631; KBio2_003199; KBio2_005767; 1,1'-(1,10-Decanediyl)bis(4-amino-2-methylquinolinium); NINDS_000752; ZINC1655706; BDBM50048403; CCG-35859; STL483403; STL483697; AKOS024284388; DB04209; MCULE-8435600697; 1-[10-(4-amino-2-methyl-quinolin-1-ium-1-yl)decyl]-2-methyl-quinolin-1-ium-4-amine; 1-[10-(4-amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylquinolin-1-ium-4-amine; IDI1_000752; QTL1_000029; NCGC00015339-01; NCGC00015339-03; NCGC00015339-04; NCGC00015339-05; NCGC00015339-07; NCGC00015339-08; NCGC00024723-01; NCGC00024723-02; NCI60_001298; ST075548; SBI-0050326.P003; LS-176573; 2315-EP2281810A1; 2315-EP2289483A1; 2315-EP2292589A1; 2315-EP2305655A2; 2315-EP2371823A1; BRD-K77685957-300-01-8; 1, {10-Decamethylenebis[4-aminoquinaldinium} chloride]; Quinaldinium, 1,1'-decamethylenebis[4-amino]- dichloride; 1,1'-(Decane-1,10-diyl)bis(4-amino-2-methylquinolin-1-ium); 1,1'-decane-1,10-diylbis(2-methylquinolin-4(1H)-iminium); Quinolinium, 1,1'-(1, {10-decanediyl)bis[4-amino-2-methyl-,} dichloride; 1,1''-(Deca-4,6-diyne-1,10-diyl)bis(4-amino-2-methylquinolinium) Diiodide Hydrate; 1-[10-(4-amino-2-methyl-1-quinoliniumyl)decyl]-2-methyl-4-quinoliniumamine; 1-[10-(4-amino-2-methyl-1-quinoliniumyl)decyl]-2-methyl-4-quinoliniumamine dichloride; 1-[10-(4-amino-2-methyl-1-quinoliniumyl)decyl]-2-methyl-4-quinoliniumamine(Deq); 1-[10-(4-amino-2-methyl-1-quinoliniumyl)decyl]-2-methyl-4-quinoliniumamine(dequalinium); 1-(10-(4-Amino-2-methyl-1lambda~5~-quinolin-1-yl)decyl)-2-methyl-1lambda~5~-quinolin-4-ylamine dichloride; 1-[10-(4-amino-2-methyl-1-quinoliniumyl)decyl]-2-methyl-4-quinoliniumamine dichloride ; Dequalinium; DQ+",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C30H40N4+2",
"molecular_weight": "456.7",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "The degree of absorption is minimal in case of topical or vaginal administration thus systemic exposure is negligible. <0.1 % is absorbed systemically after oral administration.",
"cid": "2993",
"classification": "D; G; R",
"indications": "",
"side_effects": "",
"atc_codes": "R02AA02; D08AH01; G01AC05",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0337",
"name": "Desflurane",
"synonyms": "DESFLURANE; Suprane; 57041-67-5; 2-(difluoromethoxy)-1,1,1,2-tetrafluoroethane; Desflurano; Desfluranum; Desfluranum [INN-Latin]; Desflurano [INN-Spanish]; difluoromethyl 1,2,2,2-tetrafluoroethyl ether; I-653; I 653; 1,2,2,2-Tetrafluoroethyl difluoromethyl ether; (+-)-2-Difluoromethyl 1,2,2,2-tetrafluoroethyl ether; C3H2F6O; CHEBI:4445; DPYMFVXJLLWWEU-UHFFFAOYSA-N; Ethane, 2-(difluoromethoxy)-1,1,1,2-tetrafluoro-, (+-)-; Ethane,2-(difluoromethoxy)-1,1,1,2-tetrafluoro-; UNII-CRS35BZ94Q; Desflurane [USAN:INN]; Suprane (TN); Desflurane (JAN/USP/INN); CRS35BZ94Q; Desfluran-O; HSDB 8058; Desflurane [USAN:USP:INN:BAN]; CHF2OCHFCF3; 1,1,1,2-tetrafluoro-2-(difluoromethoxy)ethane; SCHEMBL62917; Ethane, 2-(difluoromethoxy)-1,1,1,2-tetrafluoro-; GTPL7156; CHEMBL1200733; CTK5A6200; DTXSID80866606; ZX-AP005907; 5829AE; FCH917950; SBB088129; AKOS006228397; DB01189; VZ31862; CC-26789; LS-65505; SC-62385; DB-053001; TR-019952; FT-0624525; C07519; D00546; 1-(difluoromethoxy)-1,2,2,2-tetrafluoroethane; C-04968; Q419383",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C3H2F6O",
"molecular_weight": "168.04",
"state": "liquid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "Rapidly absorbed into the circulation via the lungs following inhalation.",
"cid": "42113",
"classification": "N",
"indications": "Apnoea; Cough",
"side_effects": "Cough (0.0015); Headache (1e-04); Hypertension (1e-04); Pharyngitis (1e-04); Salivary hypersecretion (0); Apnoea; Bradycardia; Breath holding; Conjunctival hyperaemia; Hypotension; Laryngospasm; Nausea; Nodal arrhythmia; Tachycardia; Vomiting",
"atc_codes": "N01AB07",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0338",
"name": "Doconexent",
"synonyms": "Docosahexaenoic acid; Doconexent; Cervonic acid; 6217-54-5; all-cis-DHA; (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid; Doconexento; Doconexentum; Doxonexent; AquaGrow Advantage; all-Z-Docosahexaenoic acid; Martek DHA HM; Ropufa 60; cis-4,7,10,13,16,19-Docosahexaenoic acid; Docosahexaenoate; UNII-ZAD9OKH9JC; (4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid; Docosahexaenoic acid (all-Z); CCRIS 7670; all-cis-4,7,10,13,16,19-Docosahexaenoic acid; ZAD9OKH9JC; all-cis-docosa-4,7,10,13,16,19-hexaenoic acid; DOCOSA-4,7,10,13,16,19-HEXAENOIC ACID; CHEMBL367149; docosahexaenoic acid(DHA); CHEBI:28125; delta4,7,10,13,16,19-Docosahexaenoic acid; 4-cis,7-cis,10-cis,13-cis,16-cis,19-cis-Docosahexaenoic acid; MBMBGCFOFBJSGT-KUBAVDMBSA-N; 4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoic acid; (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaenoic acid; (all-Z)-4,7,10,13,16,19-Docosahexaenoic acid; OMEGA-3 MARINE TRIGLYCERIDES; 4,7,10,13,16,19-Docosahexaenoic acid, (all-Z)-; efalex; NCGC00161345-04; DOCOSAHEXAENOIC ACID (22:6 n-3); 22:6(n-3); 4,7,10,13,16,19-Docosahexaenoic acid, (4Z,7Z,10Z,13Z,16Z,19Z)-; cis-4,7,10,13,16,19-Docosahexanoic acid; 4,7,10,13,16,19-Docosahexaenoic acid; Monolife 50; Doconexent [INN]; Marinol D 50TG; SR-05000002130; Doconexentum [INN-Latin]; Doconexento [INN-Spanish]; DHA-[21,21,22,22,22-d5]; Cervonate; 1fdq; DHA algae oil; Docosahexaenoicacid; FA 22:6; Algal DHA; Omega 3 fatty acid; all-Z-Docosahexaenoate; Cervonic acid|||DHA; Spectrum5_002062; Docosahexaenoic acid (6CI); DSSTox_CID_20465; DSSTox_RID_79498; DSSTox_GSID_40465; SCHEMBL19577; BSPBio_001298; Docoshexaenoic Acid (Powder); MLS004773950; BML3-B02; GTPL1051; Retriacyl (proposed trade name); DTXSID5040465; BCBcMAP01_000145; HMS1361A20; HMS1791A20; HMS1989A20; HMS3402A20; HMS3649J15; HY-B2167; ZINC4474564; Tox21_111992; BDBM50210259; GK0953; LMFA01030185; MFCD00065722; AKOS015962159; AC-1010; CCG-207958; CCG-208135; CS-6261; DB03756; KL-0761; IDI1_033768; 4,7,10,13,16,19-Docosahexaenoate; NCGC00161345-01; NCGC00161345-02; NCGC00161345-03; NCGC00161345-05; all cis- Docosahexaenoic acid (cis-DHA); M355; SMR001881493; CAS-6217-54-5; cis-4,7,10,13,16,19-Docosahexanoate; D2226; FT-0082651; C06429; AB01563379_01; 217D545; Q423345; SR-05000002130-1; SR-05000002130-4; BRD-K39965020-001-02-6; 4,7,10,13,16,19-Docosahexaenoic acid, (all cis)-; A320050000; C22:6n-3,6,9,12,15,18; cis-4,7,10,13,16,19-Docosahexaenoic acid, >=98%; z,z,z,z,z,z-docosa-4,7,10,13,16,19-hexaenoic acid; (all-Z)-4,7,10,13,16,19-Docosahexaenoic Acid, DHA; 800E8E72-BBF4-46F7-A60B-B8F2B54669C7; UNII-71M78END5S component MBMBGCFOFBJSGT-KUBAVDMBSA-N; UNII-96GS7P39SN component MBMBGCFOFBJSGT-KUBAVDMBSA-N; UNII-9B22238JYI component MBMBGCFOFBJSGT-KUBAVDMBSA-N; UNII-F85N2YHE4E component MBMBGCFOFBJSGT-KUBAVDMBSA-N; 4,7,10,13,16,19-Docosahexaenoic acid, (all-Z)- (8CI); cis-4,7,10,13,16,19-Docosahexaenoic acid, analytical standard; (4Z,7Z,10Z,13Z,16Z, 19Z)-docosa-4,7,10,13,16,19-hexaenoic acid; (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4, 7,10,13,16,19-hexaenoic acid; (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19- hexaenoic acid; 4,7,10,13,16,19-Docosahexaenoic acid, (4Z,7Z,10Z,13Z,16Z,19Z)- (9CI); cis-4,7,10,13,16,19-Docosahexaenoic acid, 500 mug/mL in ethanol, certified reference material",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C22H32O2",
"molecular_weight": "328.5",
"state": "liquid",
"clearance": "",
"volume_of_distribution": "DHA is the most abundant n−3 fatty acid in membranes and is present in all organs. It is also the most variable among organs and is particularly abundant in neural tissue, such as brain and retina, where it is several hundred-fold more abundant than EPA [A19452].",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "Approximately 20 hours [A19370].",
"absorption": "Like other omega-3 fatty acids, DHA is hydrolyzed from the intestines and delivered through the lymphatic circulation. Plasma DHA concentrations increase in a dose-dependent and saturable manner.",
"cid": "445580",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0339",
"name": "Doravirine",
"synonyms": "Doravirine; 1338225-97-0; MK-1439; MK1439; UNII-913P6LK81M; 913P6LK81M; 3-chloro-5-[1-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)pyridin-3-yl]oxybenzonitrile; MK 1439; 3-Chloro-5-((1-((4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl)oxy)benzonitrile; 3-Chloro-5-({1-[(4-Methyl-5-Oxo-4,5-Dihydro-1h-1,2,4-Triazol-3-Yl)methyl]-2-Oxo-4-(Trifluoromethyl)-1,2-Dihydropyridin-3-Yl}oxy)benzonitrile; Doravirine [USAN:INN]; 4ncg; Pifeltro (TN); Doravirine; MK-1439; MK-1439(Doravirine); Doravirine (MK-1439); C17H11ClF3N5O3; Doravirine (JAN/USAN/INN); SCHEMBL2509885; CHEMBL2364608; DTXSID30158386; ZIAOVIPSKUPPQW-UHFFFAOYSA-N; BCP02296; EX-A1968; ZINC72317283; AKOS030528603; CS-5924; DB12301; SB17104; HY-16767; ZINC000072317283; DB-091410; D10624; Q6885419; S900006160; 2KW; 3-chloro-5-[[1-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)-3-pyridyl]oxy]benzonitrile; Benzonitrile, 3-chloro-5-((1-((4,5-dihydro-4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl)-1,2-dihydro-2-oxo-4-(trifluoromethyl)-3-pyridinyl)oxy)-",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C17H11ClF3N5O3",
"molecular_weight": "425.7",
"state": "",
"clearance": "The elimination clearance values CL/F and CLrenal have been determined as 106 (35.2) ml/min and 9.3 (18.6) ml/min, presented as geometric means (%CV: geometric coefficient of variation) [FDA Label].",
"volume_of_distribution": "The Vdss documented for doravirine is 60.5 L, based on an IV dosing [FDA Label].",
"route_of_elimination": "The primary route of elimination for doravirine is via cytochrome P450 3A4/5 metabolism [FDA Label, A38823, A38824]. Only 6% of administered doses are found in the urine, unchanged [FDA Label]. Minor levels of the drug are found in the biliary/fecal elimination routes, unchanged [FDA Label].",
"protein_binding": "The plasma protein binding recorded for doravirine is 76% [FDA Label].",
"half_life": "The elimination half-life t1/2 determined for doravirine is recorded as 15 hours [FDA Label].",
"absorption": "The absolute bioavailability of doravirine is reported to be 64% with a Tmax of 2 hours [FDA Label]. Following oral [14 C]doravirine administration, all of the administered dose was recovered [A38823] and the agent is considered to be well absorbed [A38824]. Moreover, the co-administration with food did not greatly alter doravirine's pharmacokinetic profile during clinical studies [A38824].",
"cid": "58460047",
"classification": "J",
"indications": "",
"side_effects": "",
"atc_codes": "J05AR24; J05AG06",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0340",
"name": "Edaravone",
"synonyms": "edaravone; 89-25-8; 1-Phenyl-3-methyl-5-pyrazolone; 3-METHYL-1-PHENYL-2-PYRAZOLIN-5-ONE; Radicut; Norphenazone; MCI-186; Developer Z; Methylphenylpyrazolone; Norantipyrine; C.I. Developer 1; Phenylmethylpyrazolone; Phenyl methyl pyrazolone; Radicava; 1-Phenyl-3-methyl-5-oxo-2-pyrazoline; 1-Phenyl-3-methylpyrazolone; 3-Methyl-1-phenyl-1H-pyrazol-5(4H)-one; CI Developer 1; 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-phenyl-; 1-Phenyl-3-methylpyrazolone-5; 2,4-Dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one; 5-Methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one; 3-Methyl-1-phenylpyrazol-5-one; 3-Methyl-1-phenyl-2-pyrazoline-5-one; NCI-C03952; 2-Pyrazolin-5-one, 3-methyl-1-phenyl-; 5-Pyrazolone, 3-methyl-1-phenyl-; NSC 12; Edaravone (MCI-186); 1-Fenyl-3-methyl-2-pyrazolin-5-on; CCRIS 512; 3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-one; CHEBI:31530; HSDB 4102; 1-Fenyl-3-methyl-2-pyrazolin-5-on [Czech]; EINECS 201-891-0; MFCD00003138; BRN 0609575; AI3-03557; MLS000069602; 3-METHYL-1-PHENYL-2-PYRAZOLIN-5-ONE (MCI-186); QELUYTUMUWHWMC-UHFFFAOYSA-N; NSC-2629; NSC-26139; NCGC00164015-01; SMR000059020; DSSTox_CID_1130; DSSTox_RID_75961; DSSTox_GSID_21130; Monopyrazolone; WLN: T5NMV DHJ BR& E1; 1-Phenyl-3-methyl-2-pyrazolin-5-on; CAS-89-25-8; Radicut (TN); 3-Methyl-1-phenyl-2-pyrazolin-5-one, 99%; 3H-Pyrazol-3-one,4-dihydro-5-methyl-2-phenyl-; SR-01000000135; Radicava (TN); (MCI-186); Radicut;MCI-186; CDS1_000986; PubChem13301; Spectrum_000267; Tocris-0786; Edaravone [USAN:INN]; Maybridge1_005738; Opera_ID_1057; Spectrum2_001574; Spectrum3_000971; Spectrum4_001091; Spectrum5_001217; M0687; EC 201-891-0; SCHEMBL4704; BSPBio_001235; BSPBio_002601; KBioGR_000575; KBioGR_001502; KBioSS_000575; KBioSS_000747; AE-641/00371017; KSC448M1D; MLS001146878; MLS002415675; MLS006011753; DivK1c_001018; DivK1c_002026; SPECTRUM1503635; SPBio_001508; CHEMBL290916; Edaravone (USAN/JP17/INN); DTXSID9021130; BCBcMAP01_000127; CTK3E8611; HMS503K17; HMS557M18; KBio1_001018; KBio2_000575; KBio2_000747; KBio2_003143; KBio2_003315; KBio2_005711; KBio2_005883; KBio3_001029; KBio3_001030; KBio3_001821; NSC2629; NINDS_001018; BCPP000246; Bio1_000438; Bio1_000927; Bio1_001416; Bio2_000448; Bio2_000928; HMS1362M17; HMS1792M17; HMS1990M17; HMS2234M19; HMS3266F04; HMS3403M17; HMS3411L05; HMS3654L15; HMS3675L05; Pharmakon1600-01503635; ACT07289; BCP26336; HY-B0099; KS-00000X6I; NSC26139; Tox21_112077; Tox21_201747; Tox21_302819; BBL011741; BDBM50200541; CCG-39352; NSC758622; s1326; STK201315; ZINC18203737; 3-methyl-1-phenyl-2-pyrazolin-5one; AKOS000313817; Tox21_112077_1; AC-4745; BCP9000635; CS-1832; DB12243; LS-1892; MCI-186, Radicut, 89-25-8; NE10266; NSC-758622; RTR-028045; SB19128; IDI1_001018; IDI1_002203; 1-PEHNYL-3-METHYL-5-PYRAZALONE; NCGC00018218-01; NCGC00018218-02; NCGC00018218-03; NCGC00018218-04; NCGC00018218-05; NCGC00018218-06; NCGC00018218-07; NCGC00018218-08; NCGC00018218-10; NCGC00018218-17; NCGC00022665-02; NCGC00022665-04; NCGC00022665-05; NCGC00022665-06; NCGC00256515-01; NCGC00259296-01; 4CA-0486; AK128848; SC-13582; ST012744; SBI-0051836.P002; AB2000046; DB-002517; ST2410773; TR-028045; AM20060748; FT-0608243; SW148216-2; 5-methyl-2-phenyl-2,4-dihydro-3-pyrazolone; 5-methyl-2-phenyl-2,4-dihydropyrazol-3-one; 3-Methyl-1-phenyl-2-pyrazoline-5-one, 99%; 4E-901; 5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one; C13008; D01552; AB00375776_14; AB00375776_15; 2 4-Dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one; 2,4-dihydro-2-phenyl-5-methyl-3H-pyrazol-3-one; Q335099; Q-200386; SR-01000000135-2; SR-01000000135-3; SR-01000000135-5; 5-Methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one #; BRD-K35458079-001-04-2; BRD-K35458079-001-12-5; BRD-K35458079-001-23-2; Z50145861; F0391-0021; 3-Methyl-1-phenyl-2-pyrazoline-5-one, SAJ special grade; 3-Methyl-1-phenyl-2-pyrazoline-5-one, purum, >=98.0% (NT); 5-Methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one (Edaravone); Phenazone impurity A, European Pharmacopoeia (EP) Reference Standard; Antipyrine Related Compound A, United States Pharmacopeia (USP) Reference Standard; InChI=1/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-6H,7H2,1H",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C10H10N2O",
"molecular_weight": "174.2",
"state": "solid",
"clearance": "The mean total plasma drug clearance following an intravenous infusion of a single 30mg dose is 0.1L/min [A19139].",
"volume_of_distribution": "The mean Vd value following an intravenous infusion of a single 30mg dose is 18.5L/kg [A19139].",
"route_of_elimination": "About 0.7-0.9% of the dose is excreted as unchanged drug and 71.0-79.9% of the dose is excreted as metabolites (mostly as glucuronide conjugates) through mainly renal elimination.",
"protein_binding": "The in vitro binding rates of edaravone to human serum protein and albumin are 92% and 89-91%, respectively, with no concentration-dependence.",
"half_life": "The mean terminal elimination half-life of edaravone is 4.5 to 6 hours and the half-lives of its metabolites are 2 to 2.8 hours.",
"absorption": "The peak plasma concentration of the parent drug is reached at the end of infusion, without accumulation of the drug with multiple dosing regimen. The mean Cmax value in healthy male adults is 888ng/mL for intravenous infusion. The values of AUC and Cmax are increased in a dose-proportional relationship. The oral bioavailability in mouse studies is 38% of the I.V. delivery [A19138].",
"cid": "4021",
"classification": "N",
"indications": "",
"side_effects": "",
"atc_codes": "N07XX14",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01621",
"RC02242",
"RC02863"
]
},
{
"compound_ID": "D0341",
"name": "Elesclomol",
"synonyms": "Elesclomol; 488832-69-5; Elesclomol (STA-4783); STA-4783; UNII-6UK191M53P; CHEBI:79369; 6UK191M53P; 1,3-Bis[2-methyl-2-(phenylthioxomethyl)hydrazide]propanedioic acid; N'1,N'3-dimethyl-N'1,N'3-di(phenylcarbonothioyl)malonohydrazide; Propanedioic acid, bis[2-methyl-2-(phenylthioxomethyl)hydrazide]; J-503879; C19H20N4O2S2; 1-N'-Benzenecarbothioyl-3-(2-benzenecarbothioyl-2-methylhydrazinyl)-N'-methyl-oxopropanehydrazidide; Elesclomol [USAN:INN]; elesclomolum; N'1,N'3-dimethyl-N'1,N'3-bis(phenylcarbonothioyl)propanedihydrazide; Propanedioic acid, bis(2-methyl-2-(phenylthioxomethyl)hydrazide); Elesclomol (USAN); NSC174939; Elesclomol/STA-4783; MLS006011164; SCHEMBL313745; CHEMBL1972860; DTXSID2042642; SCHEMBL10131773; KS-00000XGX; EX-A602; BKJIXTWSNXCKJH-UHFFFAOYSA-N; HMS3654M11; BCP00247; ZINC1716098; 1750AH; 2394AH; ABP000242; s1052; 1-N',3-N'-bis(benzenecarbonothioyl)-1-N',3-N'-dimethylpropanedihydrazide; AKOS005145783; BCP9000639; CS-0192; DB05719; NSC-174939; SB17208; NCGC00183656-01; NCGC00183656-02; NCGC00183656-09; NCGC00183656-11; 4CA-0491; AS-56232; HY-12040; NCI60_001429; SC-28248; SMR004702933; ZINC000001716098; FT-0700480; SW219775-1; EC-000.2312; A23836; D08909; W-5540; 832E695; N-malonyl-bis (N'-methyl-N'-thiobenzoyl hydrazide); Q5359460; BRD-K82135108-001-01-9; N,N'-Bis[methyl[phenyl(thiocarbonyl)]amino]malonamide; N'(1),N'(3)-dimethyl-N'(1),N'(3)-bis(phenylcarbonothioyl)malonohydrazide; STA-4783|||1-N',3-N'-Bis(benzenecarbonothioyl)-1-N',3-N'-dimethylpropanedihydrazide; 1-N'-benzenecarbothioyl-3-(2-benzene carbothioyl-2-methylhydrazinyl)-N'-methyloxopropanehydrazidide",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C19H20N4O2S2",
"molecular_weight": "400.5",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "300471",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0342",
"name": "Erdosteine",
"synonyms": "Erdosteine; 84611-23-4; Erdosteinum [Latin]; RV 144; Erdosteine [INN]; PV 144; RV-144; C8H11NO4S2; 105426-14-0; Erdosteine (INN); KW-9144; NCGC00185774-01; 2-[2-oxo-2-[(2-oxothiolan-3-yl)amino]ethyl]sulfanylacetic acid; DL-S-(2-(N-3-(2-Oxotetrahydrotheinyl)acetamido))thioglycolic acid; ((2-Oxo-2-((tetrahydro-2-oxo-3-thienyl)amino)ethyl)thio)acetic acid; Acide ((2-oxo-3-tetrahydrothienylcarbamoyl)-methylthio)acetique [French]; DSSTox_CID_28661; DSSTox_RID_82931; DSSTox_GSID_48735; Dithiosteine; Erdosteinum; Vectrine; Edirel; (+-)-((((Tetrahydro-2-oxo-3-thienyl)carbamoyl)methyl)thio)acetic acid; ({2-Oxo-2-[(2-oxotetrahydro-3-thienyl)amino]ethyl}sulfanyl)acetic acid; Acetic acid, ((2-oxo-2-((tetrahydro-2-oxo-3-thienyl)amino)ethyl)thio)-; Acetic acid, [[2-oxo-2-[(tetrahydro-2-oxo-3-thienyl)amino]ethyl]thio]-; CAS-84611-23-4; Erdosteine [INN:BAN]; Erdostiene; Erdotin; 2-(2-oxo-2-(2-oxotetrahydrothiophen-3-ylamino)ethylthio)acetic acid; Erdosteine,(S); Mucotec (TN); SCHEMBL21721; MLS006010056; CHEMBL1697744; DTXSID8048735; Erdosteine, >=98% (HPLC); CTK3E8142; CHEBI:135014; HMS3264C11; HMS3655I14; Acide ((2-oxo-3-tetrahydrothienylcarbamoyl)-methylthio)acetique; EBD89745; HY-B0289; KS-00000XO0; S-(2-(N-3-(2-oxo-tetrahydrothienyl)acetamido))thioglycolic acid; Tox21_113176; KM2223; s1825; STL452949; 2-[2-oxo-2-[(2-oxotetrahydrothiophen-3-yl)amino]ethyl]sulfanylacetic acid; AKOS015888361; Tox21_113176_1; AC-5278; API0002581; CCG-213836; CS-2302; DB05057; KS-1352; NCGC00185774-02; AK343448; K510; LS-12659; SC-12161; SMR002529560; AB0014260; AB2000312; E1026; FT-0625684; FT-0630929; SW220302-1; D07383; AB01274804-01; AB01274804_02; AB01274804_03; 611E234; A840878; SR-01000944253; Q3731252; SR-01000944253-1; 2-[[2-oxo-2-[(2-oxo-3-thiolanyl)amino]ethyl]thio]acetic acid; N-(Tetrahydro-2-oxo-3-thienyl)-3-thiapentanedioic Acid Monoamide; ({2-oxo-2-[(2-oxotetrahydrothiophen-3-yl)amino]ethyl}sulfanyl)acetic acid; 2-((2-Oxo-2-((2-oxotetrahydrothiophen-3-yl)amino)ethyl)thio)acetic acid; Aceticacid, 2-[[2-oxo-2-[(tetrahydro-2-oxo-3-thienyl)amino]ethyl]thio]-; 2-[2-oxidanylidene-2-[(2-oxidanylidenethiolan-3-yl)amino]ethyl]sulfanylethanoic acid; 84661-23-4",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C8H11NO4S2",
"molecular_weight": "249.3",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "65632",
"classification": "R",
"indications": "",
"side_effects": "",
"atc_codes": "R05CB15",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0343",
"name": "Etretinate",
"synonyms": "9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid ethyl ester; CTK8F9698; HQMNCQVAMBCHCO-UHFFFAOYSA-N; BCP31125; AKOS030228516; DB00926; VZ20178; KS-0000017G; ZINC000003830820; FT-0653621; Q27166420; 9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoic acid ethyl ester; ethyl 9-(4-methoxy-2,3,6-trimethyl-phenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoate; 9-(4-methoxy-2,3,6-trimethyl-phenyl)-3,7-dimethyl-nona-2,4,6,8-tetraen-1-oic acid ethyl ester",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C23H30O3",
"molecular_weight": "354.5",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "More than 99% bound to plasma proteins, predominantly lipoproteins, whereas its active metabolite, acetretin (etretin), is predominantly bound to albumin.",
"half_life": "In one study, the apparent terminal half-life of etretinate after 6 months of therapy was approximately 120 days. In another study of 47 patients who had undergone chronic therapy with etretinate, 5 patients had detectable serum drug concentrations (0.5 to 12 ng/mL) 2.1 to 2.9 years after therapy was completed.",
"absorption": "Absorbed in the small intestine. Studies in normal volunteers indicate that the absorption of etretinate is greater in patients consuming whole milk or a high-fat diet than in patients in a fasting state.",
"cid": "3312",
"classification": "D",
"indications": "",
"side_effects": "",
"atc_codes": "D05BB01",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0344",
"name": "Fenproporex",
"synonyms": "FENPROPOREX; Desobesi; 16397-28-7; Fenproporex [INN:DCF]; Femproporex [INN-Spanish]; Fenproporexum [INN-Latin]; EINECS 239-772-0; DEA No. 1575; 15686-61-0; 3-[(1-METHYL-2-PHENYLETHYL)AMINO]PROPIONONITRILE; 3-((1-Methyl-2-phenylethyl)amino)propiononitrile; fenproporex, (+-)-isomer; EINECS 240-444-4; Fenorex (TN); Fenproporex (INN); BRN 3082794; N-2-cyanoethylamphetamine; N-(2-Cyanoethyl)amphetamine; SCHEMBL157687; CHEMBL2105566; DTXSID0043921; CTK4D1697; CHEBI:134837; IQUFSXIQAFPIMR-UHFFFAOYSA-N; (.+/-.)-N-2-Cyanoethylamphetamine; API0010055; DB01550; ACM16397287; BBV-36839438; LS-124949; FT-0668506; D07947; (+-)-3-((alpha-Methylphenethyl)amino)propionitrile; 3-[(1-Methyl-2-phenylethyl)amino]propanenitrile #; Propanenitrile,3-[(1-methyl-2-phenylethyl)amino]-; Q5443577; Propanenitrile, 3-[(1-methyl-2-phenylethyl)amino]-; (.+/-.)-3-[(.alpha.-Methylphenethyl)amino]propionitrile; Propionitrile, 3-((alpha-methylphenethyl)amino)-, (+-)-; Propanenitrile, 3-((1-methyl-2-phenylethyl)amino)-, (+-)-; Cyanoethylamphetamine|||3-[(a-Methylphenethyl)amino]propionitrile; Propanenitrile, 3-[(1-methyl-2-phenylethyl)amino]-, (.+/-.)-; Propionitrile, 3-((.alpha.-methylphenethyl)amino)-, (.+/-.)-",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C12H16N2",
"molecular_weight": "188.27",
"state": "solid",
"clearance": "The amphetamine metabolite can be detected for several days after the administration of forproporex (up to 119h, in one study). [2]",
"volume_of_distribution": "",
"route_of_elimination": "Renally eliminated in the urine, mainly as amphetamine, but 5-9% as unchanged drug.",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "61810",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0345",
"name": "Ferric cation",
"synonyms": "Ferric ion; Iron(3+); iron(III); Ferric cation; Fe3+; ferric iron; Iron(III) cation; UNII-91O4LML611; 20074-52-6; Iron(3+) ion; 91O4LML611; Iron, ion (Fe3+); Ferric ions; Iron(3+)ions; trivalent iron; Iron trivalent ion; FeIII; Iron(III) ion; Iron (III) ion; Fe+3 ion; Iron ion(3+); Fe(III); Iron (Fe3+); IRON (III); Fe+3; iron, ion (Fe(3+)); Fe+++; DTXSID9041029; CHEBI:29034; Fe(3+); VTLYFUHAOXGGBS-UHFFFAOYSA-N; Iron, ion (Fe3+) (8CI,9CI); MCULE-3117305964; C14819; Q3233795",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "Fe+3",
"molecular_weight": "55.84",
"state": "solid",
"clearance": "The rate of iron loss is approximately 1 mg/day [A32514]. The pharmacokinetic properties of ferric compounds vary.",
"volume_of_distribution": "Less than 65% of iron is stored in the liver, spleen, and bone marrow, mainly as ferritin and haemosiderin [T28]. The pharmacokinetic properties of ferric compounds vary.",
"route_of_elimination": "Iron is predominantly conserved in the body with no physiologic mechanism for excretion of excess iron from the body, other than blood loss [A32514]. The pharmacokinetic properties of ferric compounds vary.",
"protein_binding": "Fe3+ is converted to Fe2+, which is bound and transported in the body via circulating transferrin. In pathogenic _Neisseria_, ferric iron-binding protein serves as the main periplasmic-protein for ferric iron that has equivalence to human transferrin [A32523]. Once in the cytosol, ferric iron is stored in ferritin where it is associated with hydroxide and phosphate anions [A32525].",
"half_life": "The pharmacokinetic properties of ferric compounds vary.",
"absorption": "Iron absorption and systemic iron homeostasis are regulated by hepcidin, which is a peptide hormone that also regulates the activity of the iron-efflux protein, ferroportin-1 [A32514]. Iron is mostly absorbed in the duodenum and upper jejunum [L2258]. Fe3+ displays low solubility at the neutral pH of the intestine and is mainly be converted to ferrous iron (Fe2+) by ferric reductases [T28], as ferric salts are only half as well absorbed as ferrous salts [L2258]. Once converted in the intestinal lumen, Fe+2 is transported across the apical membrane of enterocytes [A32514]. The absorption rate of non-haem iron is 2-20% [A32514]. Stored iron may be liberated via ferroportin-mediated efflux, which is coupled by reoxidation of Fe2+ to Fe3+ by ceruloplasmin in the serum or hephaestin in the enterocyte membrane [A32524]. Fe3+ subsequently binds to transferrin, which keeps ferric cation in a redox-inert state and delivers it into tissues [A32514].\n\nIt is proposed that there may be separate cellular uptake pathways for ferrous iron and ferric iron. While ferrous iron is primarily carried by divalent metal transporter-1 (DMAT-1), cellular uptake of ferric iron is predominantly mediated by beta-3 integrin and mobilferrin, which is also referred to as calreticulin in some sources as a homologue [A32507]. However, the most dominant pathway in humans is unclear [A32507].",
"cid": "29936",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0346",
"name": "Ferrous sulfate anhydrous",
"synonyms": "Iron(II) sulfate heptahydrate; 7782-63-0; FERROUS SULFATE HEPTAHYDRATE; Iron(2+) sulfate heptahydrate; Presfersul; Melanterite mineral; Iron sulfate heptahydrate; Melanterite; Fesofor; Fesotyme; Haemofort; Ironate; Irosul; Iron protosulfate; Siderotil mineral; Tauriscite mineral; Szomolnikite mineral; Caswell No. 460; Fero-Gradumet; UNII-39R4TAN1VT; CCRIS 7331; MFCD00149719; EPA Pesticide Chemical Code 050502; Iron(2+) sulfate (1:1) heptahydrate; Sulfuric acid, iron(2+) salt (1:1), heptahydrate; 39R4TAN1VT; Ferrous sulfate, heptahydrate; Iron(II) sulfate (1:1), heptahydrate; Iron( cento) sulfate heptahydrate; Iron(II) sulfate heptahydrate, 99+%, ACS reagent; Iron(II) sulfate heptahydrate, 99.5%, for analysis; FeSO4.7H2O; Ferrous sulfate hepathydrate; Natabec; iron(II) sulphate heptahydrate; Tetucur-S; Ferrous Sulfate USP; Tetucur-S (TN); Ferrous Sulfate,(S); ferrous sulfate.7H2O; Ferrous sulfate (USP); Ferroussulfateheptahydrate; iron sulfate-heptahydrate; iron sulphate heptahydrate; iron(II) sulfate.7H2O; iron(2+) sulfate.7H2O; Fe.SO4.7H2O; iron(II)sulfate heptahydrate; Ferrous sulfate [USP:JAN]; Iron(II) sulfate concentrate; Iron(II) sulfate heptahydate; KSC917C0R; Iron(II) heptahydrate sulfate; iron (II) sulfate heptahydrate; iron-(II) sulfate heptahydrate; DTXSID9040344; iron (II) sulphate heptahydrate; CHEBI:75836; CTK8B7108; Ferrous sulfate hydrate (JP17); SURQXAFEQWPFPV-UHFFFAOYSA-L; KS-00000WU5; iron(2+) sulfate--water (1/7); 8648AF; ANW-56389; AKOS015902398; DB13257; LS-3193; RTR-024845; TRA0071526; 15491-23-3; SC-76746; FT-0626422; D01725; J-521365; Iron(II) sulfate heptahydrate, technical grade, 90%; Q27105054; Iron(II) sulfate heptahydrate, ACS reagent, >=99.0%; Iron(II) sulfate heptahydrate, ReagentPlus(R), >=99%; Iron(II) sulfate heptahydrate, puriss. p.a., ACS reagent; Iron(II) sulfate heptahydrate, tested according to Ph.Eur.; Iron(II) sulfate heptahydrate, Vetec(TM) reagent grade, 99%; Ferrous sulfate, United States Pharmacopeia (USP) Reference Standard; Iron(II) sulfate heptahydrate, JIS special grade, 99.0-102.0%; Iron(II) sulfate heptahydrate, plant cell culture tested, >=99%; Iron(II) sulfate heptahydrate, SAJ first grade, 98.0-102.5%; Iron(II) sulfate heptahydrate, BioReagent, suitable for cell culture, suitable for insect cell culture, >=99%; Iron(II) sulfate heptahydrate, puriss. p.a., ACS reagent, reag. ISO, reag. Ph. Eur., 99.0-103.4% (manganometric); Iron(II) sulfate heptahydrate, puriss., meets analytical specification of Ph. Eur., BP, USP, FCC, 99.5-104.5% (manganometric)",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "FeH14O11S",
"molecular_weight": "278.02",
"state": "solid",
"clearance": "",
"volume_of_distribution": "Remains distributed in the body, at various locations for several months. Crosses the placenta; enters breast milk [L2240].",
"route_of_elimination": "Mostly recycled; small daily losses occurring via desquamation, sweat, urine, and bile [L2240]. Some iron is lost during menstrual bleeding.\n\nAbout 1–2 mg of iron is lost every day, through skin and gastrointestinal desquamation and minor blood losses. This loss is balanced by intestinal absorption. Therefore, iron recycling accounts for most of the iron homeostasis in human. \n",
"protein_binding": "Equal to or greater than 90% [L2240]. Bound to transferrin [L2253].",
"half_life": "Minimal; Half-life: 6h [L2239].",
"absorption": "Approximately 5 – 10% of dietary iron is absorbed (increased up to 30% in iron deficiency states). Therapeutically ingested oral iron is up to 60% absorbed via active and passive transport processes [L2240].\n\nThe median time to maximum serum concentration (Tmax) occurs 4h post administration. Between 2 and 8 h post administration, average serum iron concentrations fluctuate by only 20%, according to one study [A32500].\n\nIt is advised to consume ferrous sulfate along with ascorbic acid, as this practice has been known to increase its absorption [A32506]. Reduced absorption with antacids, Zn, Ca, phosphorus, trientine, and cholestyramine has been observed [L2253].",
"cid": "62662",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0347",
"name": "Ferumoxytol",
"synonyms": "Fe3O4; Iron(II,III)oxide; Iron Oxide Black; Iron (II,III) oxide; Iron(II,III) oxide, CP; SZVJSHCCFOBDDC-UHFFFAOYSA-N; IRON PIGMENT BLACK (E172); DB06215; S350; Iron(II,III) oxide, powder, <5 mum, 95%; Iron(II,III) oxide, 99.99% trace metals basis; Q411235; Iron oxide(II,III), magnetic nanoparticles solution, 5 nm avg. part. size, 5 mg/mL in H2O; Iron(II,III) oxide, nanopowder, 50-100 nm particle size (SEM), 97% trace metals basis; 120899-48-1; 12227-89-3; Iron oxide(II,III), magnetic nanoparticles solution, 10 nm avg. part. size (TEM), amine functionalized, 1 mg/mL Fe in H2O, dispersion; Iron oxide(II,III), magnetic nanoparticles solution, 10 nm avg. part. size (TEM), carboxylic acid functionalized, 5 mg/mL Fe in H2O, dispersion; Iron oxide(II,III), magnetic nanoparticles solution, 10 nm avg. part. size (TEM), PEG functionalized, 1 mg/mL Fe in H2O, dispersion; Iron oxide(II,III), magnetic nanoparticles solution, 10 nm avg. part. size, 5 mg/mL in H2O; Iron oxide(II,III), magnetic nanoparticles solution, 10 nm avg. part. size, 5 mg/mL in toluene; Iron oxide(II,III), magnetic nanoparticles solution, 10 nm diameter, biotin functionalized, 1 mg/mL Fe, dispersion in H2O; Iron oxide(II,III), magnetic nanoparticles solution, 20 nm avg. part. size, 5 mg/mL in H2O; Iron oxide(II,III), magnetic nanoparticles solution, 20 nm avg. part. size, 5 mg/mL in toluene; Iron oxide(II,III), magnetic nanoparticles solution, 30 nm avg. part. size (TEM), amine functionalized, 1 mg/mL Fe in H2O, dispersion; Iron oxide(II,III), magnetic nanoparticles solution, 30 nm avg. part. size (TEM), PEG functionalized, dispersion, 1 mg/mL Fe in H2O; Iron oxide(II,III), magnetic nanoparticles solution, 5 nm avg. part. size (TEM), amine functionalized, 1 mg/mL Fe in H2O, dispersion; Iron oxide(II,III), magnetic nanoparticles solution, 5 nm avg. part. size (TEM), biotin functionalized, 1 mg/mL Fe in H2O, dispersion; Iron oxide(II,III), magnetic nanoparticles solution, 5 nm avg. part. size (TEM), PEG functionalized, 1 mg/mL Fe in H2O, dispersion; Iron oxide(II,III), magnetic nanoparticles solution, 5 nm avg. part. size, 5 mg/mL in toluene",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "Fe3O4",
"molecular_weight": "231.53",
"state": "solid",
"clearance": "Since there is no renal clearance, ferumoxytol is safe in renal failure patients [L2184].\nOne study estimated the clearance to be **0.0221 L/h** [L2179].\n\n",
"volume_of_distribution": "The population mean estimates for volume of distribution of the central compartment (V(1)), maximum elimination rate (V(max)), and ferumoxytol concentration at which rate of metabolism would be one-half of V(max) (K(m)) were 2.71 l, 14.3 mg/hr, and 77.5 mg/L, respectively [L2182].",
"route_of_elimination": "Iron can either become a component of intracellular ferritin or be transferred to erythroid precursor cells [L2185].\n",
"protein_binding": "",
"half_life": "The pharmacokinetic (PK) behavior of Feraheme has been studied in healthy subjects and in patients with stage 5D of chronic kidney disease, on hemodialysis [L2182].\n\nFeraheme showed dose-dependent, capacity-limited elimination from the plasma with a half-life of **approximately 15 hours** in humans [L2182].",
"absorption": "Bioavailability studies were not conducted as ferumoxytol has been developed for IV administration only [L2179].\n\nIron therapy dosage is individualized according to specific goals for blood iron concentrations, iron storage parameters (e.g., ferritin, transferrin saturation), and serum hemoglobin concentrations. Iron toxicity is possible with excessive or unnecessary iron therapy. Systemic iron is stored in ferritin and hemosiderin, which are utilized for future production of hemoglobin. The absorption of iron depends on the route of administration. The tissue that first clears parenterally ingested iron from the plasma determines its bioavailability. If the reticuloendothelial system clears iron effectively, only small amounts will become available over time to the bone marrow. Transferrin accepts iron from the intestinal tract and also from sites of hemoglobin storage and destruction [L2190].",
"cid": "16211978",
"classification": "Others",
"indications": "Iron deficiency; Iron deficiency anaemia; Renal failure chronic",
"side_effects": "Constipation (0.00021); Diarrhoea (4e-04); Hypertension (1e-04); Abdominal pain; Back pain; Body temperature increased; Chest pain; Cough; Dermatitis; Dizziness; Dyspnoea; Gastrointestinal pain; Headache; Hypotension; Muscle spasms; Nausea; Oedema; Oedema peripheral; Pruritus; Rash; Vomiting",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0348",
"name": "Fish oil",
"synonyms": "Fish oil containing omega-3 acids; Fish oils; Omega-3 fish oil",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "X",
"molecular_weight": "X",
"state": "liquid",
"clearance": "The clearance of EPA is recorded to be about 548 ml/hr while that of DHA is documented to be about 518 ml/hr hours [FDA Label].",
"volume_of_distribution": "The volume of distribution of EPA is documented as being approximately 82 L [A18890].",
"route_of_elimination": "Based on what is known about the elimination of EPA and DHA, it is understood that such fatty acids do not undergo renal excretion [FDA Label].",
"protein_binding": "It has been observed that the majority of EPA present in plasma is bound to plasma protein [F4250].",
"half_life": "The half-life of EPA is recorded to be about 37 hours while that of DHA is documented to be about 46 hours [FDA Label].",
"absorption": "The absorption process of fish oil EPA and DHA acids have been documented as being very efficient, with an absorption rate of about 95%, which is similar to that of other ingested fats [L784].",
"cid": "X",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0349",
"name": "Fluasterone",
"synonyms": "Fluasterone; UNII-R7M5UGD04G; R7M5UGD04G; 112859-71-9; 16alpha-Fluoro-5-androsten-17-one; 16-fluoro-5-androsten-17-one; 16-Fluoroandrost-5-en-17-one; CCRIS 4216; HE2500; SCHEMBL1418930; NIOSH/BV8387230; DTXSID90920920; VHZXNQKVFDBFIK-NBBHSKLNSA-N; (8R,9S,10R,13S,14S,16R)-16-Fluoro-10,13-dimethyl-3,4,7,8,9,10,11,12,13,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17(2H)-one; ZINC3778181; 16-alpha-Fluoro-5-androsten-17-one; API0007999; LS-19494; BV83872300; Androst-5-en-17-one, 16-fluoro-, (16alpha)-; Androst-5-en-17-one, 16-fluoro-, (16-alpha)-; J-002855; Q27287895",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C19H27FO",
"molecular_weight": "290.4",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "133967",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0350",
"name": "Gentian violet cation",
"synonyms": "Gentian violet cation; Crystal violet ion(1); Crystal violet cation; UNII-3GVJ31T6YY; crystal violet(1+); gentian violet(1+); CHEBI:77181; Hexamethyl pararosaniline; crystal violet carbocation; gentian violet carbocation; 7438-46-2; 3GVJ31T6YY; Gentersal; GV-Eleven; Basic Violet-3; Crystal Violet Base; GNF-PF-880; NSC3090; N-(4-{bis[4-(dimethylamino)phenyl]methylidene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium; NSC271967; tris[4-(dimethylamino)phenyl]methylium; methylrosanilinium; EINECS 238-398-5; Bis(p-(dimethylamino)phenyl)(p-(dimethylammonio)phenyl)methylium; Spectrum_000829; Spectrum2_001088; Spectrum3_000442; Spectrum4_000564; Spectrum5_000754; Crystal Violet ion(1+); SCHEMBL94116; BSPBio_002084; KBioGR_000968; KBioSS_001309; DivK1c_000031; SPBio_001136; CHEMBL459265; KBio1_000031; KBio2_001309; KBio2_003877; KBio2_006445; KBio3_001304; DTXSID10873000; NINDS_000031; BDBM50052802; STL257078; ZINC13763987; AKOS005208606; DB00406; MCULE-8035197748; IDI1_000031; NCGC00091112-03; NCGC00091112-04; NCGC00091112-05; NCGC00091112-06; NCGC00091112-07; NCGC00091112-08; Methanaminium, N-(4-(bis(4-(dimethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-; NCI60_002648; SBI-0051393.P003; LS-187085; AB00443808-03; AB00443808_05; AB00443808_06; A845487; BRD-K60025295-003-02-5; BRD-K60025295-003-03-3; Q63390508; [4-[bis(4-dimethylaminophenyl)methylene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-ammonium; [4-[bis[4-(dimethylamino)phenyl]methylidene]-1-cyclohexa-2,5-dienylidene]-dimethylammonium; [4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-azanium; 4-{bis[4-(dimethylamino)phenyl]methylene}-N,N-dimethylcyclohexa-2,5-dien-1-iminium; Dimethyl[4-[bis[4-(dimethylamino)phenyl]methylene]cyclohexa-2,5-dienylidene]aminium; InChI=1/C25H30N3/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6/h7-18H,1-6H3/q+",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C25H30N3+",
"molecular_weight": "372.5",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "3468",
"classification": "D; G",
"indications": "",
"side_effects": "",
"atc_codes": "D01AE02; G01AX09",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0351",
"name": "Ginkgo biloba",
"synonyms": "Bilobalide; 33570-04-6; Bilobalid; (-)-Bilobalide; UNII-M81D2O8H7U; CHEBI:3103; M81D2O8H7U; Bilobalide A; (3aS,8R,8aS,9R,10aS)-9-tert-butyl-8,9-dihydroxydihydro-9H-furo[2,3-b]furo[3',2':2,3]cyclopenta[1,2-c]furan-2,4,7(3H,8H)-trione; 4H,5aH,9H-Furo(2,3-b)furo(3',2':2,3)cyclopenta(1,2-c)furan-2,4,7(3H,8H)-trione, 9-(1,1-dimethylethyl)-10,10a-dihydro-8,9-dihydroxy-, (5aR-(3aS*,5aalpha,8beta,8aS*,9alpha,10aalpha))-; tert-butyl(dihydroxy)[?]trione; C15H18O8; Bilobalide;; Bilobalide A;; (?)-Bilobalide; AK160222; MLS000563448; SCHEMBL285824; GTPL2366; CHEMBL1318117; HMS2205O12; BCP28255; HY-N0076; ZINC8679998; MFCD00132880; AKOS024282583; API0001715; CCG-208160; CS-1517; NCGC00142501-01; NCGC00142501-02; AS-17551; CC-24660; SMR000232342; ST057155; AX8007805; LS-183112; TR-031391; N1894; ST24046151; V0679; W-5094; 570B046; C-19867; Q418459; SR-01000712074; Q-100409; SR-01000712074-4; (-)-Bilobalide from Ginkgo biloba leaves, >=93% (HPLC); (1S,4R,7R,8S,9R,11S)-9-tert-butyl-7,9-dihydroxy-3,5,12-trioxatetracyclo[6.6.0.0^{1,11}.0^{4,8}]tetradecane-2,6,13-trione; (1S,8S,12S,5R,14R)-14-(tert-butyl)-2,14-dihydroxy-4,6,11-trioxatetracyclo[6.6. 0.0<1,5>.0<8,12>]tetradecane-3,7,10-trione; 4H,5aH,9H-Furo[2,3-b]furo[3',2':2,3]cyclopenta[1,2-c]furan-2,4,7(3H,8H)-trione, 9-(1,1-dimethylethyl)-10,10a-dihydro-8,9-dihydroxy-, (3aS,5aR,8R,8aS,9R,10aS)-; 4H,5aH,9H-Furo[2,3-b]furo[3',2':2,3]cyclopenta[1,2-c]furan-2,4,7(3H,8H)-trione, 9-(1,1-dimethylethyl)-10,10a-dihydro-8,9-dihydroxy-,(3aS,5aR,8R,8aS,9R,10aS)-",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C15H18O8",
"molecular_weight": "326.3",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "73581",
"classification": "N",
"indications": "",
"side_effects": "",
"atc_codes": "N06DX02; N06DA53",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0352",
"name": "Glymidine",
"synonyms": "GLYMIDINE; Glycodiazine; Glidiazine; Glycodiazin; Glymidinum; 339-44-6; Glycodiazin [German]; UNII-4C5I4BQZ8F; EINECS 206-426-5; BRN 0552655; 4C5I4BQZ8F; 5-beta-(Methoxyethoxy)-2-(phenylsulfonylamido)pyrimidine; N-(5-(2-Methoxyethoxy)-2-pyrimidinyl)benzenesulfonamide; 2-Benzolsulfonamido-5-beta-methoxy-aethoxy-pyrimidine [German]; Lycanol; N-(5-(2-Methoxyethoxy)-2-pyrimidinyl)benzenesulphonamide; Benzenesulfonamide, N-(5-(2-methoxyethoxy)-2-pyrimidinyl)-; N-[5-(2-Methoxyethoxy)-2-pyrimidinyl]benzenesulfonamide; C13H15N3O4S; N-[5-(2-methoxyethoxy)pyrimidin-2-yl]benzenesulfonamide; Benzenesulfonamide, N-[5-(2-methoxyethoxy)-2-pyrimidinyl]-; 2-Benzolsulfonamido-5-beta-methoxy-aethoxy-pyrimidine; SCHEMBL34389; 5-25-12-00549 (Beilstein Handbook Reference); 2-Benzolsulfonamido-5-.beta.-methoxy-aethoxy-pyrimidine; CHEMBL1697838; DTXSID1023108; CHEBI:31660; CTK8I2846; QFWPJPIVLCBXFJ-UHFFFAOYSA-N; N-(5-{[2-(methyloxy)ethyl]oxy}pyrimidin-2-yl)benzenesulfonamide; ZINC2040778; DB01382; LS-31627; Q5572813; 2-Benzolsulfonylamino-5(beta-methoxy-athoxy)-pyrimidin; 5-.beta.-(Methoxyethoxy)-2-(phenylsulfonylamido)pyrimidine",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C13H15N3O4S",
"molecular_weight": "309.34",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "90% bound to plasma proteins.",
"half_life": "4 hours.",
"absorption": "Rapidly and completely absorbed following oral administration.",
"cid": "9565",
"classification": "G; A",
"indications": "",
"side_effects": "",
"atc_codes": "A10BC01; G01AE10",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0353",
"name": "Guaiacol",
"synonyms": "guaiacol; 2-Methoxyphenol; 90-05-1; o-Methoxyphenol; 2-Hydroxyanisole; Phenol, 2-methoxy-; Pyrocatechol monomethyl ether; Methylcatechol; Guaiastil; Guaicol; 1-Hydroxy-2-methoxybenzene; Pyroguaiac acid; o-Guaiacol; o-Hydroxyanisole; Guaicolina; Anastil; Guajol; Guasol; Phenol, o-methoxy-; Catechol monomethyl ether; O-Methyl catechol; CREOSOTE, WOOD; Methoxyphenol; Guajakol; Wood creosote; 2-Methoxy-Phenol; Creosote, beechwood; Hydroxyanisole; Guajacol; Phenol, methoxy-; Guajakol [Czech]; 8021-39-4; Guaiacol (natural); Methylcatachol; Creodon; ortho-Guaiacol; Pyrocatechol methyl ester; UNII-6JKA7MAH9C; 2-methoxy phenol; NSC 3815; Guaiacol (JAN); Guaiacol [JAN]; Creodon (TN); FEMA No. 2532; CCRIS 2943; HSDB 4241; EINECS 201-964-7; MFCD00002185; 6JKA7MAH9C; Guaiacol (2-Methoxyphenol); CHEMBL13766; AI3-05615; CHEBI:28591; LHGVFZTZFXWLCP-UHFFFAOYSA-N; Guaiacol, 99+%; NCGC00090827-02; NCGC00090827-04; Creosote; DSSTox_CID_3113; Beechwood creosote; DSSTox_RID_76880; DSSTox_GSID_23113; CAS-90-05-1; Creosote [JAN]; Guaiacol [JAN:NF]; SR-01000838056; RCRA waste number U051; guiacol; methoxy phenol; 6-methoxyphenol; hydroxyl anisole; CCRIS 6004; Nat.Guaiacol; O-methylcatechol; o-Guiacol; o--methoxyphenol; orthomethoxyphenol; o-methoxy-Phenol; Beechwood creosote (Fagus spp.); Creosote (wood); HSDB 1979; 2-methoxyphenol;; ortho-methoxyphenol; Guaiacol,(S); JZ3; EINECS 232-419-1; 2-(methyloxy)phenol; Creosote (wood tar); 2-methoxyl-4-vinylphenol; Catechol mono methyl ether; bmse000436; bmse010027; 2-methoxyphenol (guaiacol); EC 201-964-7; Guaiacol, puriss., 99%; WLN: QR BO1; DSSTox_RID_77552; 1- hydroxy-2-methoxybenzene; 3-methoxy-4-hydroxy benzene; DSSTox_GSID_24853; SCHEMBL21626; ghl.PD_Mitscher_leg0.900; guaiacol (liquid) extra pure; Guaiacol, oxidation indicator; KSC204S1J; MLS001055375; DTXSID0023113; CTK1A4914; KS-00000KSX; NSC3815; Guaiacol, natural, >=99%, FG; HMS2089D18; HMS2233P04; HMS3372N11; HMS3715E11; Pharmakon1600-01506165; a hydroxlyated aryl lignin fragment; ACMC-209784; BCP27082; CS-D1347; HY-N1380; NSC-3815; STR03604; Tox21_111031; Tox21_201136; Tox21_202990; Tox21_400004; ANW-13634; BDBM50240369; NSC760376; SBB058681; STL281868; ZINC13512224; AKOS000118831; CCG-214035; DB11359; EBD2205193; LS-1906; MCULE-5627336368; NSC-760376; PS-3252; RTR-028311; Guaiacol, SAJ first grade, >=98.0%; NCGC00090827-01; NCGC00090827-03; NCGC00090827-05; NCGC00090827-06; NCGC00090827-07; NCGC00258688-01; NCGC00260535-01; 26638-03-9; 9009-62-5; AK114448; Guaiacol, Vetec(TM) reagent grade, 98%; SC-18105; SMR000059155; CAS-8021-39-4; AB1001888; DB-024854; ST2410094; TR-028311; FT-0626815; M0121; ST50214385; 7519-EP2292227A2; 7519-EP2295426A1; 7519-EP2295427A1; 7519-EP2305636A1; 7519-EP2305683A1; 7519-EP2308857A1; 7519-EP2308861A1; 7519-EP2311821A1; 7519-EP2311839A1; 7519-EP2314584A1; 7519-EP2314589A1; 7519-EP2316470A2; 7519-EP2316832A1; 7519-EP2316833A1; 7519-EP2316837A1; C01502; C15572; D00117; AB00876226-06; AB00876226_07; 196981-EP2269977A2; 196981-EP2371803A1; 196981-EP2377843A1; A843426; Q412403; Q-100002; SR-01000838056-2; SR-01000838056-3; F2173-0425; Guaiacol, European Pharmacopoeia (EP) Reference Standard; UNII-3JYG22FD73 component LHGVFZTZFXWLCP-UHFFFAOYSA-N; Guaiacol, United States Pharmacopeia (USP) Reference Standard; InChI=1/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H; 2-Methoxyphenol; Catechol monomethyl ether; Pyrocatechol monomethyl ether; Guaiacol, Pharmaceutical Secondary Standard; Certified Reference Material",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C7H8O2",
"molecular_weight": "124.14",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "Excreted by rabbits in combined form with sulfate (15%) and glucuronic acid (72%).",
"protein_binding": "",
"half_life": "",
"absorption": "In rats, guaiacol is rapidly absorbed, being present in the blood 5 minutes after oral administration, and reaching its peak plasma concentration in about 10 minutes. Its elimination from the blood is usually as rapid.",
"cid": "460",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0354",
"name": "Helium",
"synonyms": "Helium; Atomic helium; Helium-4; 7440-59-7; p-Helium; O-Helium; helio; [He]; helium(0); UNII-206GF3GB41; Helium (USP); Helium [USP]; HSDB 553; EINECS 231-168-5; UN1046; UN1963; E939; CHEBI:30217; 206GF3GB41; He; Helium, compressed [UN1046] [Nonflammable gas]; helium atom; Helium, compressed; Helium,high purity; EINECS 275-187-7; Helium, >=99.995%; Helium, >=99.999%; CHEMBL1796997; DTXSID7036402; CHEBI:33681; CTK2H7525; DB09155; 71086-78-7; Helium, Messer(R) CANGas, 99.999%; LS-74126; SC-81400; E 939; E-939; D04420; Helium, refrigerated liquid (cryogenic liquid); Helium, compressed [UN1046] [Nonflammable gas]; Helium, refrigerated liquid (cryogenic liquid) [UN1963] [Nonflammable gas]; Helium, refrigerated liquid (cryogenic liquid) [UN1963] [Nonflammable gas]",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "He",
"molecular_weight": "4.0026",
"state": "gas",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "Respiration",
"protein_binding": "",
"half_life": "0.8 seconds",
"absorption": "",
"cid": "23987",
"classification": "V",
"indications": "",
"side_effects": "",
"atc_codes": "V03AN03",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0355",
"name": "Hexachlorophene",
"synonyms": "hexachlorophene; 70-30-4; Hexachlorofen; Hexachlorophen; Nabac; Almederm; Exofene; Fostril; pHisoHex; Gamophene; Hexophene; Steraskin; Tersaseptic; Acigena; Dermadex; Distodin; Gamophen; Hexabalm; Hexafen; Phisodan; Septisol; Septofen; Surofene; Hexide; Steral; Turgex; Germa-Medica; Surgi-Cen; Surgi-Cin; Cotofilm; Ritosept; Hexosan; Fomac; Fesia-sin; Soy-dome; Ster-zac; Neosept V; G-Eleven; Hexachlorophane; Hexaclorofeno; Hexascrub; Bilevon; Hexachlorophenum; Phiso-Scrub; Septi-Soft; Hexa-Germ; TRICHLOROPHENE; Armohex; Compound G-11; 6,6'-Methylenebis(2,4,5-trichlorophenol); Nabac 25 ec; Staphene O; Solu-Heks; Pre-Op; Esaclorofene; Trisophen; Bivelon; G-II; Hexaphene-LV; Hilo Flea Powder; 2,2'-Methylenebis(3,4,6-trichlorophenol); At-17; Rcra waste number U132; Enditch Pet Shampoo; Esaclorofene [DCIT]; Hexachlorofen [Czech]; Hilo Cat Flea Powder; 2,2'-methanediylbis(3,4,6-trichlorophenol); Scrubteam Surgical Spongebrush; PRE-OP II; AT-7; Pedigree Dog Shampoo Bar; Bis(2-hydroxy-3,5,6-trichlorophenyl)methane; Bis(3,5,6-trichloro-2-hydroxyphenyl)methane; NCI-C02653; G-11; Hexaclorofeno [INN-Spanish]; 2,2',3,3',5,5'-Hexachloro-6,6'-dihydroxydiphenylmethane; Caswell No. 566; Hexachlorophenum [INN-Latin]; Blockade Anti Bacterial Finish; AT 7; UNII-IWW5FV6NK2; 2,2'-Dihydroxy-3,5,6,3',5',6'-hexachlorodiphenylmethane; B 32 (VAN); B & b Flea Kontroller for Dogs Only; C13H6Cl6O2; CCRIS 331; Phenol, 2,2'-methylenebis[3,4,6-trichloro-; 2,2'-Dihydroxy-3,3',5,5',6,6'-hexachlorodiphenylmethane; HSDB 224; MLS000028433; SMR000058356; Brevity Blue Liquid Sanitizing Scouring Cream; En-Viron D Concentrated Phenolic Disinfectant; EINECS 200-733-8; NSC 49115; UN2875; IWW5FV6NK2; Hexachlorophene [UN2875] [Poison]; Phenol, 2,2'-methylenebis(3,4,6-trichloro)-; Brevity Blue Liquid Bacteriostatic Scouring Cream; RCRA waste no. U132; EPA Pesticide Chemical Code 044901; Bis-2,3,5-trichloro-6-hydroxyfenylmethan [Czech]; BRN 2064407; B 32; AI3-02372; MLS002152906; CHEBI:5693; Thera-Groom Pet Shampoo for Dogs for Veterinary Use Only; 2,2'-Methylenebis[3,4,6-trichlorophenol]; 2,2'-Methylene bis(3,4,6-trichlorophenol); Bis(3,5,6-trichloro-2-hydroxyphenyl)-methane; Phenol, 2,2'-methylenebis(3,4,6-trichloro-; ACGUYXCXAPNIKK-UHFFFAOYSA-N; Methane, bis(2,3,5-trichloro-6-hydroxyphenyl); 3,4,6-trichloro-2-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]phenol; Methane, bis(2,3,5-trichloro-6-hydroxyphenyl)-; NCGC00091195-04; Eleven; Fascol; DSSTox_CID_690; 2,4,6-trichlorophenol]; 2,5,6-trichlorophenol); DSSTox_RID_75738; DSSTox_GSID_20690; B32; Hexachlorophene [INN]; Fo stril; Bis-2,5-trichlor-6-hydroxyfenylmethan; CAS-70-30-4; Methane,3,5-trichloro-6-hydroxyphenyl); Bis(2-hydroxy-3,6-trichlorophenyl)methane; Bis(3,6-trichloro-2-hydroxyphenyl)methane; Phenol,2'-methylenebis[3,4,6-trichloro-; Phenol,2'-methylenebis[3,5,6-trichloro-; WLN: QR BG DG EG F1R BQ CG EG FG; 2,3',5,5',6,6'-hexachlorodiphenylmethane; 2,5,6,3',5',6'-hexachlorodiphenylmethane; SR-01000721924; 2,3,3',5,5'-Hexachloro-6,6'-dihydroxydiphenylmethane; Hexachlorophene (USP/INN); Bis-2,3,5-trichloro-6-hydroxyfenylmethan; 3,4,6-trichloro-2-[(3,5,6-trichloro-2-hydroxyphenyl)methyl]phenol; Hexachlorophenone; Hexachlorophene [USP:INN:BAN]; KUC106447N; Phisohex (TN); Methylenebis(3,4,6-trichlorophenol); KSC-19-051; Spectrum_000867; Bis-2,3,5-trichlor-6-hydroxyfenylmethan; Opera_ID_504; Spectrum2_001105; Spectrum3_000450; Spectrum4_000573; Spectrum5_000792; M0219; Bis(2,3,5-trichloro-6-hydroxyphenyl)methane; CHEMBL496; GERMA-MEDICA \"MG\"; Bis(2,3,5-tric hloro-6-hydroxyphenyl)methane; cid_3598; REGID_for_CID_3598; SCHEMBL15579; BSPBio_002100; KBioGR_001006; KBioSS_001347; MLS001148404; BIDD:ER0608; BIDD:GT0722; DivK1c_000630; SPECTRUM1500328; SPBio_001210; DTXSID6020690; BDBM31712; CTK9A1850; HMS501P12; KBio1_000630; KBio2_001347; KBio2_003915; KBio2_006483; KBio3_001320; NSC9887; NINDS_000630; 3,3',5,5',6,6'-Hexachloro-2,2'-dihydroxydiphenylmethane; HMS1920D07; HMS2091J13; HMS3259C19; HMS3715P21; KUC112427N; Pharmakon1600-01500328; NSC-9887; NSC49115; ZINC1530968; Tox21_111099; Tox21_201350; Tox21_302741; 0895AC; 3,4,6-trichloro-2-[(2,3,5-trichloro-6-hydroxy-phenyl)methyl]phenol; CCG-39768; MFCD00002171; NSC-49115; NSC757055; s4632; SBB058855; STK377478; AKOS005449243; Tox21_111099_1; API0002904; CS-3866; DB00756; LS-1597; MCULE-3028228047; NC00512; NSC-757055; UN 2875; IDI1_000630; NCGC00091195-01; NCGC00091195-02; NCGC00091195-03; NCGC00091195-05; NCGC00091195-06; NCGC00091195-07; NCGC00091195-08; NCGC00256580-01; NCGC00258902-01; AS-10068; BP-30177; CPD000058356; HY-12637; SAM002554903; SC-51022; 2,2-Methylenebis(3,4,6-Trichlorophenol); 6,6-Methylenebis(2,4,5-trichlorophenol); KSC-285-117-1; SBI-0051403.P003; Hexachlorophene 5000 microg/mL in Methanol; TR-023301; FT-0626955; ST24029562; ST50880633; Bis-(2-hydroxy-3,5,6-trichlorophenyl)methane; C08039; D00859; MLS-0072923.0001; AB00052010_17; Bis[3,4,6-trichlorophenol], 2,2'-methylene-; Hexachlorophene 5000 microg/mL in Dichloromethane; Hexachlorophene, PESTANAL(R), analytical standard; Q425362; SR-01000721924-2; SR-01000721924-5; SR-01000721924-6; BRD-K99792991-001-02-6; BRD-K99792991-001-18-2; Hexachlorophene, United States Pharmacopeia (USP) Reference Standard",
"trade_name": "Nabac",
"abbrev_name": "",
"description": "organochlorine compound; disinfectant",
"molecular_formula": "C13H6Cl6O2",
"molecular_weight": "406.9",
"state": "liquid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "0.92",
"half_life": "",
"absorption": "Detectable blood levels of hexachlorophene following absorption through intact skin have been found in subjects who regularly scrubbed with hexachlorophene.",
"cid": "3598",
"classification": "D",
"indications": "Infection",
"side_effects": "",
"atc_codes": "D08AE01",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0105",
"F0108",
"F020403"
],
"references": [
"RC00984",
"RC01969",
"RC02590",
"RC03211",
"RC04934"
]
},
{
"compound_ID": "D0356",
"name": "Idebenone",
"synonyms": "SCHEMBL7407419; VMHWZDULLBLUMS-UHFFFAOYSA-N; DB09081; ZINC000137375210; 6-(12-hydroxydodecyl)-2,3-dimethoxy-5-methyl-1,4-benzoquinone; 2-(12-hydroxydodecyl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C19H30O5",
"molecular_weight": "338.4",
"state": "solid",
"clearance": "",
"volume_of_distribution": "Experimental data have shown that idebenone passes the blood-brain barrier and is distributed at significant concentrations in cerebral tissue. Following oral administration pharmacologically relevant concentrations of idebenone are detectable in the aqueous humor of the eye [L885].",
"route_of_elimination": "The main route of elimination is metabolism, with the majority of dose excreted via the kidneys as metabolites. After a single or repeated oral dose of 750 mg of idebenone, QS4+QS4-C were the most prominent idebenone-derived metabolites in urine, representing on average between 49.3% and 68.3% of the total administered dose. QS6+QS6 represented 6.45% to 9.46%, whereas QS10+QS10-C and IDE+IDE-C were close to 1% or below [L885].",
"protein_binding": "",
"half_life": "",
"absorption": "After oral administration, idebenone is rapidly absorbed. On repeat dosing, maximum plasma concentrations of idebenone are reached on average within 1 hour (median 0.67 h range: 0.33-2.00 h). Food increases the bioavailability of idebenone by approximately 5-7-fold and i therefore should always be administered with food [L885].",
"cid": "3686",
"classification": "N",
"indications": "",
"side_effects": "",
"atc_codes": "N06BX13",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T001060"
],
"function": [
"F020103"
],
"references": [
"RC01102",
"RC01374"
]
},
{
"compound_ID": "D0357",
"name": "Imexon",
"synonyms": "59643-91-3; BM 06002; BM-06002; 4-Imino-1,3-diazabicyclo(3.1.0)hexan-2-one; 4-Imino-1,3-diazabicyclo[3.1.0]hexan-2-one; 4-Amino-1,3-diazabicyclo[3.1.0]hex-3-en-2-one; MLS002702958; 4-Imino-1,3-diazabicyclo-[3.1.0]hexan-2-one; NSC313425; NCGC00181304-01; 4-Amino-1,3-diazabicyclo(3.1.0)hex-3-en-2-one; Imexon [INN]; Imexon (USAN/INN); DSSTox_CID_26895; DSSTox_RID_81997; DSSTox_GSID_46895; SCHEMBL154584; CHEMBL146428; GTPL8273; Amplimexon (proposed trade name); CTK5B0232; HMS3264B05; Tox21_112779; NSC714597; AKOS006273819; AOP-990001; API0002979; CCG-213631; DB05003; NSC-313425; NSC-714597; NCI60_002705; SMR001566772; BM 06 002; CAS-59643-91-3; LS-176018; FT-0692514; D08932; AB01013867_03; 4-Imino-1,3-diazabicyclo-[3.1.0]-hexan-2-one; 643I913; C-44234; 1,3-Diazabicyclo[3.1.0]hex-3-en-2-one,4-amino-",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C4H5N3O",
"molecular_weight": "111.1",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "68791",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0358",
"name": "Ingenol mebutate",
"synonyms": "Ingenol mebutate; Picato; Ingenol 3-angelate; 3-Angeloylingenol; Ingenol-3-angelate; 3-Ingenyl angelate; 75567-37-2; PEP-005; PEP005; PEP 005; UNII-7686S50JAH; 7686S50JAH; (1aR,2S,5R,5aS,6S,8aS,9R,10aR)-5,5a-dihydroxy-4-(hydroxymethyl)-1,1,7,9-tetramethyl-11-oxo-1a,2,5,5a,6,9,10,10a-octahydro-1H-2,8a-methanocyclopenta[a]cyclopropa[E][10]annulen-6-yl (2Z)-2-methylbut-2-enoate; Euphorbia factor H1; Picato (TN); Euphorbia factor An1; Ingenol mebutate [USAN:INN]; [dihydroxy-(hydroxymethyl)-tetramethyl-oxo-[?]yl] (Z)-2-methylbut-2-enoate; Ingenol-3- angelate; Ingenol-3-angelate;; Ingenol mebutate (USAN); (Z)-2-methylbut-2-enoate; GTPL7443; SCHEMBL2526605; CHEMBL1863513; HSDB 8308; VDJHFHXMUKFKET-WDUFCVPESA-N; LMFA07010911; AKOS024457952; ZINC100037855; ACN-035815; DB05013; Ingenol-3-angelate, >=95% (HPLC); D09393; Q426386; (1aR,2S,5R,5aS,6S,8aS,9R,10aR)-5,5a-Dihydroxy-4-(hydroxymethyl)-1,1,7,9-tetramethyl-11-oxo-1a,2,5,5a,6,9,10,10a-octahydro-1H-2,8a- methanocyclopenta(a)cyclopropa(e)cyclodecen-6-yl (2Z)-2-methylbut-2-enoate; (1aR,2S,5R,5aS,6S,8aS,9R,10aR)-5,5a-dihydroxy-4-(hydroxymethyl)-1,1,7,9-tetramethyl-11-oxo-1a,2,5,5a,6,9,10,10a-octahydro-1H-2,8a-methanocyclopenta[a]cyclopropa[e][10]annulen-6-yl; (2Z)-2-Methyl-2-butenoic acid (1aR,2S,5R,5aS,6S,8aS,9R,10aR)-1a,2 ,5,5a,6,9,10,10a-octahydro-5,5a-dihydroxy-4-(hydro xymethyl)-1,1,7,9-tetramethyl-11-oxo-1H-2,8a-metha nocyclopenta[a]cyclopropa[e]cyclodecen-6-yl ester; (2Z)-2-Methyl-2-butenoic acid (1aR,2S,5R,5aS,6S,8aS,9R,10aR)-1a,2,5,5a,6,9,10,10a-octahydro-5,5a-dihydroxy-4-(hydroxymethyl)-1,1,7,9-tetramethyl-11-oxo-1H-2,8a-methanocyclopenta[a]cyclopropa[e]cyclodecen-6-yl ester; 2-Butenoic acid, 2-methyl-, (1aR,2S,5R,5aS,6S,8aS,9R,10aR)-1a,2,5,5a,6,9,10,10a-octahydro-5,5a-dihydroxy-4-(hydroxymethyl)-1,1,7,9-tetramethyl-11-oxo-1H-2,8a-methanocyclopenta(a)cyclopropa(e)cyclodecen-6-yl ester, (2Z)-",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C25H34O6",
"molecular_weight": "430.5",
"state": "solid",
"clearance": "There is no clearance quantity since ingenol mebutate is a topical treatment.",
"volume_of_distribution": "There is no volume of distribution quantity since ingenol mebutate is a topical treatment.",
"route_of_elimination": "There is no route of elimination since ingenol mebutate is a topical treatment.",
"protein_binding": "There is no plasma protein binding quantity since ingenol mebutate is a topical treatment",
"half_life": "There is no half-life quantity since ingenol mebutate is a topical treatment.",
"absorption": "Since ingenol mebutate is a topical treatment, the systemic absorption is less than 0.1 ng/mL.",
"cid": "6918670",
"classification": "D",
"indications": "",
"side_effects": "",
"atc_codes": "D06BX02",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0359",
"name": "Inositol nicotinate",
"synonyms": "Inositol nicotinate; Inositol niacinate; inositol hexanicotinate; 6556-11-2; Hexanicotol; Dilexpal; myo-Inositol hexanicotinate; Mesotal; Hexanicotinoyl inositol; Hexanicit; Inositoli nicotinas; Hamovannad; Esantene; Hexopal; Linodil; Mesonex; Palohex; Dilcit; myo-Inositol, hexa-3-pyridinecarboxylate; Nicotinato de inositol; Inositol niacinate [USAN]; UNII-A99MK953KZ; Inositolo nicotinato [DCIT]; Win 9154; A99MK953KZ; CHEBI:31699; Inositoli nicotinas [INN-Latin]; NSC49506; C42H30N6O12; EINECS 229-485-9; Nicotinate d'inositol [INN-French]; [2,3,4,5,6-pentakis(pyridine-3-carbonyloxy)cyclohexyl] pyridine-3-carboxylate; INOSITOL, HEXANICOTINATE, myo-; NSC 49506; Nicotinato de inositol [INN-Spanish]; BRN 0077649; 1,2,3,54,6 Cyclohexanehexol hexanicotinate; Inositol nicotinate (INN); Inositol nicotinate [INN]; 1,2,3,5/4,6 Cyclohexanehexol hexanicotinate; Inositol niacinate (USAN); (1r,2R,3S,4s,5R,6S)-cyclohexane-1,2,3,4,5,6-hexayl hexanicotinate; inositolniacinate; Nicotinic acid, with 1,2-trans, 3-cis, 4-trans, 5-cis, 6-cis-cyclohexanehexol; cyclohexane-1,2,3,4,5,6-hexayl hexanicotinate; Inositolo nicotinato; Palohex (TN); Nicotinate d'inositol; myo-Inosithexanicotinat; myo-Inositol hexa-3-pyridinecarboxylate; m-Inositol hexanicotinate; mesoinositol hexanicotinate; SCHEMBL122590; SCHEMBL122591; Inositol hexanicotinate (JAN); CHEMBL1094982; DTXSID2023147; SCHEMBL13557040; CHEBI:33064; CTK5C2876; NSC81283; WIN-9154; ZINC3830930; NSC-49506; NSC-81283; AKOS015951374; AKOS015960653; ZINC150338506; AC-8131; DB08949; myo-Inositol,hexa-3-pyridinecarboxylate; AS-13351; H975; LS-84069; AB1009475; FT-0627238; FT-0627239; D01813; 5-22-02-00067 (Beilstein Handbook Reference); SR-01000883744; Q6036641; SR-01000883744-1; BRD-K00566342-001-01-0; cyclohexane-1,2,3,4,5,6-hexayl hexapyridine-3-carboxylate; myo-Inositol hexa-3-pyridinecarboxylate; Inositol niacinate; 2,3,4,5,6-Pentakis((3-pyridinylcarbonyl)oxy)cyclohexyl nicotinate; 3-Pyridinecarboxylic acid, 1,2,3,4,5,6-cyclohexanehexayl ester; (1R,2r,3S,4R,5s,6S)-Cyclohexane-1,2,3,4,5,6-hexayl hexanicotinate; Nicotinic acid, ester, with 1,2-trans, 3-cis, 4-trans, 5-cis, 6-cis-cyclohexanehexol",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C42H30N6O12",
"molecular_weight": "810.7",
"state": "solid",
"clearance": "Mean clearance rate following intravenous administration of 50mg/kg of inositol nicotinate in rats is 65.4±19 mL/min/kg [A19550].",
"volume_of_distribution": "Mean Vd following intravenous administration of 50mg/kg of inositol nicotinate in rats is 1051±250 mL/kg [A19550].",
"route_of_elimination": "Unabsorbed inositol nicotinate is detected in feces.",
"protein_binding": "",
"half_life": "Mean elimination half life in healthy human adults is approximately one hour [A19550].",
"absorption": "Gastrointestinal absorption of inositol hexanicotinate varies widely, with an average of 70% of an orally ingested dose absorbed from stomach and upper small intestines into the bloodstream as intact form. The maximum serum levels of nicotinic acid is reached approximately 6-10 hours after oral ingestion. At low concentrations, the absorption of nicotinic acid and nicotinamide is mediated by sodium ion-dependent facilitated diffusion. At higher concentrations, passive diffusion predominates with doses of 3 to 4 g of niacin being almost completely absorbed [L810].",
"cid": "3720",
"classification": "C",
"indications": "",
"side_effects": "",
"atc_codes": "C04AC03",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0360",
"name": "KP-1461",
"synonyms": "UNII-3PEN569TJP; KP-1461; 3PEN569TJP; 815588-85-3; C7-DHAdC; KP 1461; SB17097; Carbamic acid, (5-(2-deoxy-beta-D-erythro-pentofuranosyl)-1,4,5,6-tetrahydro-4-oxo-1,3,5-triazin-2-yl)-, heptyl ester; Q27257863",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C16H28N4O6",
"molecular_weight": "372.42",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "51003457",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0361",
"name": "L-Glutamine",
"synonyms": "L-glutamine; glutamine; 56-85-9; Levoglutamide; L-(+)-Glutamine; H-Gln-OH; Glutamic acid amide; Stimulina; Cebrogen; glumin; Levoglutamid; Glavamin; glutamic acid 5-amide; L-Glutamide; 2-aminoglutaramic acid; (S)-2,5-Diamino-5-oxopentanoic acid; L-Glutamin; Miglu-P; Polyglutamine; Saforis; L-2-Aminoglutaramidic acid; L-Glutamic acid gamma-amide; Glumin (amino acid); Glutamine (VAN); L-2-Aminoglutaramic acid; L-Glutamic acid 5-amide; (2S)-2-amino-4-carbamoylbutanoic acid; Levoglutamida; Levoglutamidum; 2-Aminoglutaramic acid, L-; (2S)-2,5-diamino-5-oxopentanoic acid; Levoglutamidum [INN-Latin]; Levoglutamida [INN-Spanish]; FEMA No. 3684; Levoglutamina; Pentanoic acid, 2,5-diamino-5-oxo-, (S)-; GLUTAMINE, L-; L-Glutamid; 2,5-Diamino-5-oxopentanoic acid, (S)-; AI3-24392; Glutamine [USP]; NSC 27421; Nutrestore; UNII-0RH81L854J; BRN 1723797; L-Glutaminsaeure-5-amid; EINECS 200-292-1; MFCD00008044; CHEMBL930; N-(2)-L-alanyl-L-glutamine; CHEBI:18050; ZDXPYRJPNDTMRX-VKHMYHEASA-N; d(-)-glutamine; 0RH81L854J; Glutamine (USP); gln; L-gln; L-Glutamine-13C5; Glutamine (L-Glutamine); Poly(glutamine); Levoglutamide [DCF:INN]; L(+)-Glutamine, 99%; gamma-Glutamine; .gamma.-Glutamine; Glutamine [USAN]; GLUTAMINE (D); (2S)-2,5-diamino-5-oxopentanoate; L-Glutamic acid .gamma.-amide; Glutamine [USAN:USP:INN]; L(+)-Glutamine, specified according to the requirements of USP; laevo-glutamine; CCRIS 9428; 3h-l-glutamine; HSDB 8165; 1wdn; (S)-glutamine; [3H]glutamine; Nutrestore (TN); S(+)Glutamine; [14C]glutamine; [3H]-glutamine; L-Glutamine Powder; Cebrogen, Stimulina; L-Glutamine,(S); [14C]-glutamine; H-Gln; L-Alanyl-L-glutamide; L-Glutamine [JAN]; Spectrum_000131; L-Glutamine [JAN]; L-Glutaminsaure-5-amid; SpecPlus_000380; L-Glutamine (JP17); GLUTAMINE (L); L-Glutamine, homopolymer; Spectrum2_001377; Spectrum3_001416; Spectrum4_001709; Spectrum5_000418; L-Glutamine, 98.5%; bmse000038; bmse001014; SCHEMBL7453; Lopac0_000549; BSPBio_003092; GTPL723; KBioGR_002038; KBioSS_000591; 26700-71-0; 4-04-00-03038 (Beilstein Handbook Reference); KSC269S9J; DivK1c_006476; SPECTRUM1500987; S(+)-Glutamic acid 5-amide; SPBio_001334; L-[3,4-3H(N)]glutamine; GTPL4633; GTPL4634; DTXSID1023100; SCHEMBL19240116; BDBM18121; CTK1G9994; KBio1_001420; KBio2_000591; KBio2_003159; KBio2_005727; KBio3_002312; HMS3261N19; HMS3264C03; Pharmakon1600-01300018; Pharmakon1600-01500987; (S)-2,5-Diamino-5-oxopentanoate; HY-N0390; KS-00000AA5; KS-000010SX; ZINC1532526; (2S)-2-amino-4-carbamoylbutanoate; Tox21_500549; ANW-32592; CCG-38853; EBD968977; MFCD00133046; NSC759628; NSC760081; s1749; AKOS015854078; (S)-2-Amino-4-carbamoyl-butyric acid; AM81759; CS-1947; DB00130; LP00549; MCULE-8718820108; NE10548; NSC-759628; NSC-760081; RTC-066534; SDCCGMLS-0066691.P001; NCGC00093936-01; NCGC00093936-02; NCGC00093936-03; NCGC00093936-04; NCGC00093936-05; NCGC00261234-01; (2S)-2,5-diamino-5-oxo-pentanoic acid; AS-11765; BP-13284; LS-71898; SBI-0050532.P003; AB0004431; AB1002635; L-Glutamine, BioUltra, >=99.5% (NT); ST2407066; TC-066534; EU-0100549; FT-0627836; G0063; L-Glutamine, SAJ special grade, >=99.0%; C00064; D00015; G 3126; M02960; 16575-EP2269996A1; 16575-EP2270004A1; 16575-EP2275412A1; 16575-EP2277861A1; 16575-EP2277876A1; 16575-EP2281563A1; 16575-EP2281815A1; 16575-EP2281824A1; 16575-EP2284157A1; 16575-EP2284171A1; 16575-EP2286812A1; 16575-EP2289876A1; 16575-EP2289883A1; 16575-EP2289892A1; 16575-EP2289893A1; 16575-EP2292611A1; 16575-EP2292614A1; 16575-EP2295055A2; 16575-EP2295401A2; 16575-EP2295411A1; 16575-EP2295416A2; 16575-EP2295417A1; 16575-EP2295429A1; 16575-EP2298312A1; 16575-EP2298748A2; 16575-EP2298780A1; 16575-EP2301533A1; 16575-EP2301940A1; 16575-EP2302382A2; 16575-EP2302383A2; 16575-EP2305640A2; 16575-EP2305652A2; 16575-EP2305663A1; 16575-EP2305688A1; 16575-EP2305689A1; 16575-EP2305695A2; 16575-EP2305696A2; 16575-EP2305697A2; 16575-EP2305698A2; 16575-EP2308844A2; 16575-EP2308845A2; 16575-EP2308846A2; 16575-EP2311453A1; 16575-EP2311806A2; 16575-EP2316459A1; 29474-EP2272827A1; 29474-EP2277867A2; 29474-EP2280003A2; 29474-EP2292088A1; 29474-EP2292611A1; 29474-EP2295410A1; 29474-EP2301939A1; 29474-EP2311842A2; AB00173347-03; AB00173347_04; L-Glutamine, ReagentPlus(R), >=99% (HPLC); L-Glutamine, Vetec(TM) reagent grade, >=99%; 008G044; 141066-EP2269996A1; 141066-EP2292625A1; Q181619; 7FBA778C-D6B8-495C-BFE7-1CB8EC4ABEAB; J-521645; Q-100459; BRD-K83896451-001-01-8; F0001-1471; L-Glutamine, certified reference material, TraceCERT(R); Z1250208676; UNII-0O72R8RF8A component ZDXPYRJPNDTMRX-VKHMYHEASA-N; (S)-2,5-Diamino-5-oxopentanoic acid; L-Glutamic acid 5-amide; Glutamine, United States Pharmacopeia (USP) Reference Standard; UNII-5L555N1902 component ZDXPYRJPNDTMRX-VKHMYHEASA-N; L-Glutamine, gamma-irradiated, BioXtra, suitable for cell culture; L-Glutamine, Pharmaceutical Secondary Standard; Certified Reference Material; L-Glutamine Solution 200 mM, 29.23 mg/mL in saline, solution, suitable for cell culture; L-Glutamine solution, 200 mM, Hybri-Max(TM), sterile-filtered, suitable for hybridoma; 184161-19-1; L-Glutamine solution, 200 mM, solution, sterile-filtered, BioXtra, suitable for cell culture; L-Glutamine, meets USP testing specifications, cell culture tested, 99.0-101.0%, from non-animal source; L-Glutamine, PharmaGrade, Ajinomoto, USP, Manufactured under appropriate GMP controls for pharma or biopharmaceutical production, suitable for cell culture",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C5H10N2O3",
"molecular_weight": "146.14",
"state": "solid",
"clearance": "",
"volume_of_distribution": "Volume of distribution is 200 mL/kg after intravenous bolus dose [FDA Label].",
"route_of_elimination": "Primarily eliminated by metabolism [FDA Label]. While L-glutamine is filtered though the glomerulus, nearly all is reabsorbed by renal tubules.",
"protein_binding": "",
"half_life": "The half life of elimination is 1 h [FDA Label].",
"absorption": "Absorption is efficient and occurs by an active transport mechanism. Tmax is 30 minutes after a single dose [FDA Label]. Absorption kinetics following multiple doses has not yet been determined.",
"cid": "5961",
"classification": "A",
"indications": "",
"side_effects": "",
"atc_codes": "A16AA03",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0362",
"name": "Lemuteporfin",
"synonyms": "Lemuteporfin; UNII-EZ109VJ012; EZ109VJ012; Lemuteporfin [INN]; 215808-49-4; EA 6; SCHEMBL13727252; QLT 0074; Q27277437; Dimethyl (2RS,21SR)-8-ethenyl-13,17-bis(3-(2-hydroxyethoxycarbonyl)-3-oxopropyl)-2,7,12,18-tetramethyl-2,21-dihydrobenzo(b)porphyrin-21,22-dicarboxylate",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C44H48N4O10",
"molecular_weight": "792.9",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "9918734",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0363",
"name": "Levocarnitine",
"synonyms": "L-carnitine; Levocarnitine; 541-15-1; vitamin BT; (R)-Carnitine; Carnitor; (-)-Carnitine; (-)-L-Carnitine; Karnitin; L-(-)-Carnitine; Levocarnitina; Carnitene; L(-)-Carnitine; Levocarnitinum; Metina; L-Carnitine inner salt; Carniking; Carnilean; Carnitolo; Carnovis; Carrier; Lefcar; Carnitine, (-)-; Levocarnitinum [Latin]; Levocarnitina [Spanish]; Carniking 50; (3R)-3-hydroxy-4-(trimethylammonio)butanoate; gamma-Trimethyl-beta-hydroxybutyrobetaine; Levocarnitine [USAN:INN]; bicarnesine; gamma-Trimethyl-ammonium-beta-hydroxybutirate; 1-CARNITINE; (3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate; 3-Carboxy-2-hydroxy-N,N,N-trimethyl-1-propanaminium hydroxide, inner salt; DRG-0211; UNII-0G389FZZ9M; (R)-(3-Carboxy-2-hydroxypropyl)trimethylammonium hydroxide; R-(-)-3-hydroxy-4-trimethylaminobutyrate; 3-carboxy-2-hydroxy-N,N,N-trimethyl-1-propanaminium; L-gamma-trimethyl-beta-hydroxybutyrobetaine; 1-Propanaminium, 3-carboxy-2-hydroxy-N,N,N-trimethyl-, inner salt, (R)-; EINECS 208-768-0; (3-Carboxy-2-hydroxypropyl)trimethyl-ammonium hydroxide, inner salt; (L-3-Carboxy-2-hydroxypropyl)trimethylammonium hydroxide, inner salt; CHEMBL1149; Ammonium, (3-carboxy-2-hydroxypropyl)trimethyl-, hydroxide, inner salt, L-; Carnicor; 1-Propanaminium, 3-carboxy-2-hydroxy-N,N,N-trimethyl-, hydroxide, inner salt, (R)-; 0G389FZZ9M; CHEBI:16347; PHIQHXFUZVPYII-ZCFIWIBFSA-N; (-)-(R)-3-Hydroxy-4-(trimethylammonio)butyrate; L-carnitine Base; 1-Propanaminium, 3-carboxy-2-hydroxy-N,N,N-trimethyl-, hydroxide, inner salt; 1-Propanaminium, 3-carboxy-2-hydroxy-N,N,N-trimethyl-, inner salt, (2R)-; 44985-71-9; (R)-3-hydroxy-4-(trimethylammonio)butanoate; levocarnitine chloride; L(-)-Carnitine, 99+%; 1-Propanaminium,3-carboxy-2-hydroxy-N,N,N-trimethyl-; D,L-carnitine; L Carnitine; vitamin B T; Carnitor (TN); SMR000112475; carnitine (L-form); (R)-3-Hydroxy-4-(trimethylammonio)butyrate; gamma-Trimethyl-hydroxybutyrobetaine; L-carnitine(Levocarnitine); (3R)-3-hydroxy-4-(trimethylamino)butanoic acid; 3-hydroxy-4-trimethylammoniobutanoate; Levocarnitin; Carnipass; delta-carnitine; Levocarnitine (JAN/USP/INN); L-Carnitin; Malonyl-Carnitin; MFCD00038747; HSDB 7588; Carnipass 20; Carnitine, L-; L-Carnitine,(S); Car-OH; Levocarnitine [USAN:USP:INN:BAN]; PubChem5901; (R)-3-Hydroxy-4-trimethylammoniobutyrate; bmse000211; L-carnitine (Levocarnitine); SCHEMBL21970; MLS001332549; MLS001332550; ARONIS24315; BIDD:GT0603; C8H18NO3; GTPL4780; DTXSID4023208; CTK4I8572; BBC/471; HMS2093J13; HMS2267H24; Pharmakon1600-01505437; HY-B0399; ZX-AT007581; (R)-(3-Carboxy-2-hydroxypropyl)trimethylammonium hydroxide, inner salt; ABP000696; Ammonium, (3-carboxy-2-hydroxypropyl)trimethyl-, hydroxide,inner salt; ANW-31960; BDBM50037268; c0049; CC0198; NSC741806; NSC759132; s2388; SBB058880; AKOS005267245; BCP9000830; CCG-213241; CS-2495; DB00583; FCH3598935; KS-1422; NSC-741806; NSC-759132; OR18381; RTR-037034; ACM44985719; 3-hydroxy-4-trimethylammoniobutanoic acid; AS-11974; CC-29870; CC-29920; CPD000112475; LS-17074; SAM002297828; SC-05198; gamma-L-trimethyl-beta-hydroxybutyrobetaine; Levocarnitine;Carnitor;vitamin BT;Karnitin; AB2000558; L-Carnitine inner salt, synthetic, >=98%; TR-037034; FT-0603460; N1935; ST24047470; ST50824805; C00318; D02176; (3R)-3-oxidanyl-4-(trimethylazaniumyl)butanoate; (R)-3-Hydroxy-4-(trimethylammonio)butanoic acid; AB00919083_05; AB00919083_06; (R)-(-)-3-Hydroxy-4-(trimethylammonio)butyrate; A829968; C-04105; Q20735709; (3R)-(-)-3-Hydroxy-4-(trimethylammonio)butanoate 99+%; L-carnitine(Levocarnitine)/Carnitor, vitamin BT, Karnitin; UNII-S7UI8SM58A component PHIQHXFUZVPYII-ZCFIWIBFSA-N; Levocarnitine, European Pharmacopoeia (EP) Reference Standard; Levocarnitine, United States Pharmacopeia (USP) Reference Standard; 1-Propanaminium, 3-carboxy-2-hydroxy-N,N,N-trimethyl-, inner salt, (2R)- (9CI); Ammonium, (3-carboxy-2-hydroxypropyl)trimethyl-, hydroxide, inner salt, L- (8CI); Levocarnitine, Pharmaceutical Secondary Standard; Certified Reference Material",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C7H15NO3",
"molecular_weight": "161.2",
"state": "solid",
"clearance": "Total body clearance was found to be a mean of 4L/h.",
"volume_of_distribution": "The steady state volume of distribution (Vss) of an intravenously administered dose, above endogenous baseline levels, was calculated to be 29.0 +/- 7.1L. However this value is predicted to be an underestimate of the true Vss.",
"route_of_elimination": "Following a single intravenous dose, 73.1 +/- 16% of the dose was excreted in the urine during the 0-24 hour interval. \nPost administration of oral carnitine supplements, in addition to a high carnitine diet, 58-65% of the administered radioactive dose was recovered from urine and feces in 5-11 days. \n",
"protein_binding": "None",
"half_life": "17.4 hours (elimination) following a single intravenous dose.\n",
"absorption": "Absolute bioavailability is 15% (tablets or solution).\nTime to maximum plasma concentration was found to be 3.3 hours.",
"cid": "10917",
"classification": "A",
"indications": "",
"side_effects": "",
"atc_codes": "A16AA01",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0364",
"name": "Lonidamine",
"synonyms": "lonidamine; 50264-69-2; Diclondazolic acid; 1-(2,4-Dichlorobenzyl)-1H-indazole-3-carboxylic acid; DICA; Doridamina; Lonidamina; Lonidaminum; Lonidamin; AF 1890; Lonidaminum [INN-Latin]; Lonidamina [INN-Spanish]; 1-[(2,4-dichlorophenyl)methyl]-1H-indazole-3-carboxylic acid; 1-(2,4-Dichlorbenzyl)-indazole-3-carboxylic acid; UNII-U78804BIDR; CCRIS 3516; 1-(2,4-dichlorobenzyl)indazole-3-carboxylic acid; 1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylic acid; EINECS 256-510-0; AF-1890; BRN 0894483; C15H10Cl2N2O2; MLS000028822; U78804BIDR; CHEBI:50138; NCGC00015609-03; SMR000058467; 1H-Indazole-3-carboxylic acid, 1-((2,4-dichlorophenyl)methyl)-; 1H-Indazole-3-carboxylic acid, 1-[(2,4-dichlorophenyl)methyl]-; DSSTox_CID_782; DSSTox_RID_75787; DSSTox_GSID_20782; Q-201318; 1H-Indazole-3-carboxylic acid, 1-(2,4-dichlorobenzyl)-; 1H-Indazole-3-carboxylicacid, 1-[(2,4-dichlorophenyl)methyl]-; Lonidamine [BAN:INN]; Doridamina (TN); Dichlondazolic acid; Lonidamine (INN); CAS-50264-69-2; Lonidamine [INN:BAN]; SR-01000075961; KN-228; TH-070; Tocris-1646; Lopac-L-4900; L 4900; SCHEMBL7134; Lopac0_000718; cid_39562; ZINC1632; CHEMBL1257030; DTXSID5020782; BDBM59775; CTK1H1686; KS-00000XLL; BIL0844; WDRYRZXSPDWGEB-UHFFFAOYSA-N; ZX-AFC001293; HMS2234H24; HMS3262O17; HMS3268K09; HMS3369I01; HMS3412P05; HMS3651F09; HMS3676P05; Pharmakon1600-01503225; ACT02617; BCP06555; HY-B0486; Tox21_110181; Tox21_202306; Tox21_500718; AF1890; MFCD00866285; NSC741419; NSC758419; s2610; AKOS012842739; Tox21_110181_1; AC-5626; API0003207; CCG-204803; CS-2602; LP00718; LS-7474; NSC-741419; NSC-758419; NCGC00015609-01; NCGC00015609-02; NCGC00015609-04; NCGC00015609-05; NCGC00015609-06; NCGC00015609-07; NCGC00015609-08; NCGC00015609-09; NCGC00025244-01; NCGC00025244-02; NCGC00025244-03; NCGC00259855-01; NCGC00261403-01; AS-11653; BR-73119; SC-75962; SBI-0050696.P002; AB0010495; AB2000699; AX8006155; ST2414921; TR-017970; 4CH-014644; AM20060642; EU-0100718; FT-0650359; SW219810-1; Lonidamine, mitochondrial hexokinase inhibitor; D07257; J90044; S-4929; AB00597141_08; AB00597141_10; 264L692; Q3836670; SR-01000075961-1; SR-01000075961-3; SR-01000075961-6; BRD-K78513633-001-03-3; BRD-K78513633-001-06-6; Z1741977188; 1-[(2,4-dichlorophenyl)methyl]-3-indazolecarboxylic acid; 1-[(2,4-DICHLOROPHENYL)METHYL]-1H-INDAZOLE-3-CARBO; 1H-Indazole-3-carboxylic acid, 1-((2,4-dichlorophenyl)methyl)- (9CI)",
"trade_name": "",
"abbrev_name": "LND",
"description": "derivative of indazole-3-carboxylic acid; inhibiting aerobic glycolytic activity",
"molecular_formula": "C15H10Cl2N2O2",
"molecular_weight": "321.2",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "39562",
"classification": "L",
"indications": "",
"side_effects": "",
"atc_codes": "L01XX07",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T002",
"T067",
"T408"
],
"function": [
"F0108",
"F0201",
"F020401",
"F0303"
],
"references": [
"RC03685",
"RC03686",
"RC04081",
"RC04205",
"RC04329",
"RC04453",
"RC04577"
]
},
{
"compound_ID": "D0365",
"name": "Lutein",
"synonyms": "Lutein; XANTHOPHYLL; 127-40-2; Bo-Xan; Luteine; Vegetable lutein; UNII-X72A60C9MT; Lutein ester; trans-Lutein; (3R,3'R,6'R)-Lutein; Vegetable luteol; all-trans-Lutein; all-trans-(+)-Xanthophyll; Lutein, all-trans-; X72A60C9MT; CHEBI:28838; KBPHJBAIARWVSC-RGZFRNHPSA-N; Xanthophyll, all-trans-(+)-; beta,epsilon-Carotene-3,3'-diol, (3R,3'R,6'R)-; (3R,3'R,6'R)-beta,epsilon-carotene-3,3'-diol; Q63409232; Lutamax; EINECS 204-840-0; NSC 59193; (3R,3'R,6R)-4,5-didehydro-5,6-dihydro-beta,beta-carotene-3,3'-diol; Xanthophyll (Lutein); .beta.,.epsilon.-Carotene-3,3'-diol, (3R,3'R,6'R)-; Xantofyl; ( inverted exclamation markA)-Lutein; E 161b; 9-cis-Lutein; NCGC00167965-01; 13-cis-Lutein; 15-cis-Lutein; 13'-cis-Lutein; all-trans-Xanthophyll; (9'Z)-Lutein; Xanthophyll, from marigold; Lutein, analytical standard; DSSTox_CID_26749; DSSTox_RID_81874; DSSTox_GSID_46749; SCHEMBL19342; CHEMBL173929; DTXSID8046749; BCBcMAP01_000190; 180580-60-3; ZINC8221225; (3R,3'R)-dihydroxy-alpha-carotene; Tox21_112594; BBL101804; LMPR01070274; STL555601; AKOS008901394; DB00137; .beta.,.epsilon.-Carotene-3,3'-diol; SMP1_000317; AS-63011; CAS-127-40-2; N653; C08601; Lutein solution, 1 mg/L in ethanol, analytical standard; 4',5'-Didehydro-6'-hydro-.beta.-carotene-3,3'-diol #; AB972DAC-E626-49F1-898D-598AF7729FD0; Lutein, Pharmaceutical Secondary Standard; Certified Reference Material; (1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,4R)-4-hydroxy-2,6,6-trimethyl-cyclohex-2-en-1-yl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-cyclohex-3-en-1-ol; (1R,4R)-4-((1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-((R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl)-3,5,5-trimethylcyclohex-2-enol; 29414-89-9",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C40H56O2",
"molecular_weight": "568.9",
"state": "liquid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "5281243",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0366",
"name": "Mebendazole",
"synonyms": "mebendazole; 31431-39-7; Vermox; Telmin; Mebenvet; Pantelmin; Vermirax; Mebenoazole; Ovitelmin; Bantenol; Mebutar; Lomper; MBDZ; Besantin; Vermicidin; Verpanyl; Noverme; Mebendazol; Mebendazolum; Sufil; Methyl (5-benzoyl-1H-benzo[d]imidazol-2-yl)carbamate; Versid; 5-Benzoyl-2-benzimidazolecarbamic acid methyl ester; Methyl 5-benzoyl-2-benzimidazolecarbamate; Carbamic acid, (5-benzoyl-1H-benzimidazol-2-yl)-, methyl ester; Methyl 5-benzoyl-2-benzimidazolylcarbamate; Mebendazol [INN-Spanish]; Mebendazolum [INN-Latin]; R 17635; Methyl 5-benzoyl benzimidazole-2-carbamate; (5-Benzoyl-1H-benzimidazol-2-yl)-carbamic acid methyl ester; CCRIS 4479; methyl N-(6-benzoyl-1H-1,3-benzodiazol-2-yl)carbamate; R 17,635; Methyl N-(5-benzoyl-1H-benzimidazol-2-yl)carbamate; NSC 184849; UNII-81G6I5V05I; methyl (5-benzoyl-1H-benzimidazol-2-yl)carbamate; HSDB 3232; 2-Benzimidazolecarbamic acid, 5-benzoyl-, methyl ester; EINECS 250-635-4; Methyl N-(5-benzoyl-2-benzimidazolyl)carbamate; CHEMBL685; N-2 (5-Benzoyl-benzimidazole) carbamate de methyle; N-(Benzoyl-5, benzimidazolyl)-2, carbamate de methyle; CHEBI:6704; Carbamic acid, N-(5-benzoylbenzimidazol-2-yl)-, methyl ester; N-2 (5-Benzoyl-benzimidazole) carbamate de methyle [French]; N-(Benzoyl-5, benzimidazolyl)-2, carbamate de methyle [French]; Methyl 6-benzoyl-1H-benzimidazol-2-ylcarbamate; 81G6I5V05I; 5-Benzoyl-2-benzimidazolecarbamic acid, methyl ester; NSC184849; methyl [5-(phenylcarbonyl)-1H-benzimidazol-2-yl]carbamate; NCGC00016806-01; (5-Benzoyl-1H-benzimidazol-2-yl)carbamic acid methyl ester; CPD000036734; 2-Benzimidazolecarbamic acid, 5-benzoyl-, methyl ester (8CI); Mebex; CAS-31431-39-7; Equivurm Plus; DSSTox_CID_20682; DSSTox_RID_79538; DSSTox_GSID_40682; Vermox (TN); Emverm; SMR000036734; SR-01000003109; Mebendazole [USAN:INN:BAN:JAN]; Mebatreat; Mebendazole (JAN/USP/INN); Equivurmp Plus; Mebendazole,(S); R17635; Prestwick_310; MFCD00057872; Mebendazole [USAN:USP:INN:BAN:JAN]; Spectrum_001298; Prestwick0_000217; Prestwick1_000217; Prestwick2_000217; Prestwick3_000217; Spectrum2_001401; Spectrum3_001439; Spectrum4_000416; Spectrum5_001381; Probes1_000013; Probes2_000149; Cambridge id 5250893; Methyl [5-(Benzoyl)benzimidazol-2-yl]carbamate; TimTec1_000869; Oprea1_278237; Oprea1_768530; R-17635; SCHEMBL15860; BSPBio_000233; BSPBio_003178; CBDivE_010559; KBioGR_000712; KBioSS_001778; MLS000028491; MLS006011879; BIDD:GT0087; DivK1c_000751; SPECTRUM1501110; SPBio_001442; SPBio_002154; BPBio1_000257; DTXSID4040682; CTK6J2930; CTK8B6803; HMS502F13; KBio1_000751; KBio2_001778; KBio2_004346; KBio2_006914; KBio3_002398; NINDS_000751; OPXLLQIJSORQAM-UHFFFAOYSA-N; HMS1536H11; HMS1568L15; HMS1921F03; HMS2090B03; HMS2092B15; HMS2095L15; HMS3259B11; HMS3604N11; HMS3712L15; N-(6-benzoyl-1H-benzimidazol-2-yl)carbamic acid methyl ester; Pharmakon1600-01501110; ZINC121541; EBD12117; KS-00000F1I; Tox21_110620; ANW-54402; BBL008298; BDBM50180753; CCG-39628; MMV003152; NSC757838; s4610; SBB057003; STK093862; AKOS000539066; AKOS015896232; Carbamic acid, (5-benzoyl-1H-benzimidazol-2-yl)-, methyl ester (9CI); Tox21_110620_1; CS-3974; DB00643; MCULE-4133611535; NC00639; NE41992; NSC-184849; NSC-757838; RTR-013370; IDI1_000751; NCGC00016806-02; NCGC00016806-03; NCGC00016806-04; NCGC00016806-05; NCGC00016806-06; NCGC00016806-07; NCGC00016806-08; NCGC00016806-09; NCGC00016806-10; NCGC00016806-12; NCGC00016806-13; NCGC00021698-03; NCGC00021698-04; NCGC00021698-05; NCGC00021698-06; NCGC00021698-07; AC-12064; AK-97348; AS-12272; HY-17595; LS-48951; SAM002548959; SAM002589942; ST011967; SBI-0051641.P002; AB1009303; TR-013370; AB00052203; FT-0628179; FT-0628180; M2273; ST24047541; EN300-50844; D00368; W-6804; AB00052203-09; AB00052203_10; Mebendazole, VETRANAL(TM), analytical standard; 431M397; A820852; AG-205/04588045; Mebendazole, analytical standard, >=98% (HPLC); Methyl (6-benzoyl-1H-benzimidazol-2-yl)carbamate; Q422194; methyl 5-benzoyl-1H-benzo[d]imidazol-2-ylcarbamate; SR-01000003109-2; SR-01000003109-3; W-106901; BRD-K77987382-001-01-7; BRD-K77987382-001-06-6; BRD-K77987382-001-08-2; methyl N-(5-benzoyl-1H-1,3-benzimidazol-2-yl)carbamate; Z234895185; 5-benzoyl-1H-benzimidazol-2-yl carbamic acid methyl ester; Mebendazole, European Pharmacopoeia (EP) Reference Standard; methoxy-N-[5-(phenylcarbonyl)benzimidazol-2-yl]carboxamide; methoxy-N-[6-(phenylcarbonyl)benzimidazol-2-yl]carboxamide; methyl N-[6-(phenylcarbonyl)-1H-benzimidazol-2-yl]carbamate; (5-benzoyl-1(3)H-benzoimidazol-2-yl)-carbamic acid methyl ester;; Mebendazole, United States Pharmacopeia (USP) Reference Standard; Mebendazole for system suitability, European Pharmacopoeia (EP) Reference Standard; Mebendazole Polymorph C, United States Pharmacopeia (USP) Reference Standard; 5-Benzoyl-2-benzimidazolecarbamic acid methyl ester; Mebendazol; Methyl N-(5-benzoyl-1Hbenzimidazol-2-yl)carbamate",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C16H13N3O3",
"molecular_weight": "295.29",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "In man, approximately 2% of administered mebendazole is excreted in urine and the remainder in the feces as unchanged drug or a primary metabolite.",
"protein_binding": "90-95%",
"half_life": "2.5 to 5.5 hours (range 2.5 to 9 hours) in patients with normal hepatic function. Approximately 35 hours in patients with impaired hepatic function (cholestasis).",
"absorption": "Poorly absorbed (approximately 5 to 10%) from gastrointestinal tract. Fatty food increases absorption.",
"cid": "4030",
"classification": "P",
"indications": "Ascariasis; Diarrhoea; Enterobiasis; Hookworm infection; Trichuriasis",
"side_effects": "",
"atc_codes": "P02CA01; P02CA51",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC02001",
"RC02622",
"RC03243"
]
},
{
"compound_ID": "D0367",
"name": "Mesalazine",
"synonyms": "5-Aminosalicylic acid; mesalamine; Mesalazine; 89-57-6; 5-Amino-2-hydroxybenzoic acid; Asacol; Pentasa; Claversal; Canasa; 5-ASA; Salofalk; Rowasa; m-Aminosalicylic acid; Mesasal; Lialda; Fisalamine; Lixacol; Apriso; Benzoic acid, 5-amino-2-hydroxy-; p-Aminosalicylsaeure; Asacolitin; Mesalazina; Mesalazinum; sfRowasa; 5-amino-2-hydroxy-benzoic acid; Asacol HD; Mesalazinum [Latin]; 5-Amino Salicylic Acid; Mesalamine [USAN]; Mesalazina [Spanish]; p-Aminosalicylsaeure [German]; 2-Hydroxy-5-aminobenzoic acid; 3-carboxy-4-hydroxyaniline; SALICYLIC ACID, 5-AMINO-; UNII-4Q81I59GXC; NSC 38877; CCRIS 7334; EINECS 201-919-1; MFCD00007877; BRN 2090421; AI3-15564; MLS001424012; 4Q81I59GXC; CHEBI:6775; 5-Aminosalicylic Acid, Purified; KBOPZPXVLCULAV-UHFFFAOYSA-N; mesalamine (USAN); CAS-89-57-6; NCGC00016344-03; SMR000145728; DSSTox_CID_4506; DSSTox_RID_77435; DSSTox_GSID_24506; 5-Aminosalicylic acid, 99%; Mesavancol; Delzicol; Mesavance; Mezavant; Iialda; Mesalazine MMX; Mezavant XL; Mesalamine (USP); Pentasa (TN); 5-Aminosalicylicacid; Salofalk Granu-Stix; Apriso (TN); Asacol (TN); Canasa (TN); Lialda (TN); Rowasa (TN); 5-AS; meta-Aminosalicylic Acid; SR-01000763486; Mesalamine [USAN:USP]; Mesalazin; HSDB 7512; AJG-501; MAX-002; SPD 476; SPD-476; SPD-480; Mesalamine (TN); Mesalamine(Lialda); Delzicol (TN); Sfrowasa (TN); Mesalazine [INN]; Mesalamine (Lialda); 5-aminosalicylic_acid; MD-0901; 5-Aminosalicyclic acid; 5-amino-salicylic acid; PubChem17623; Mesalamine|||Mesalazine; ACMC-1BKFR; Prestwick0_001069; Prestwick1_001069; Prestwick2_001069; Prestwick3_001069; WLN: ZR DQ CVQ; Z-206; CHEMBL704; Mesalazine (JP17/INN); EC 201-919-1; cid_4075; Oprea1_847633; SCHEMBL31297; 3amino-6-hydroxybenzoic acid; 5-amino-2-hydroxybenzoicacid; BSPBio_001058; KBioGR_002425; KBioSS_002431; 4-14-00-02058 (Beilstein Handbook Reference); KSC448C0L; MLS000758287; 5-Aminosalicylic acid, 95%; 5-Aminosalicylic acid, tablet; ARONIS23914; BIDD:GT0811; 3-amino-6-hydroxybenzoic acid; SPBio_002969; BPBio1_001164; GTPL2700; ZINC1688; 5-Amino 2-hydroxy benzoic acid; DTXSID5024506; SCHEMBL18038934; 5-Aminosalicylic acid, >=99%; BDBM60918; CTK3E8105; KBio2_002425; KBio2_004993; KBio2_007561; KBio3_002904; cMAP_000045; HMS1571E20; HMS2051M21; HMS2090I09; HMS2098E20; HMS3393M21; HMS3649K15; HMS3651M15; HMS3715E20; Pharmakon1600-01505993; BCP05326; KS-00000CC5; KS-000048PQ; NSC38877; Tox21_110384; Tox21_201610; Tox21_303125; 5-?Aminosalicylic Acid (Mesalazine); ANW-39326; BBL013046; NSC-38877; NSC759301; s1681; SBB052617; STK301678; AKOS000118959; Tox21_110384_1; AC-2764; BCP9000175; CCG-100829; CS-2219; DB00244; HS-0100; LS-1894; LS11426; MCULE-5752745805; NC00079; NSC-759301; RTR-032941; TRA0073805; NCGC00016344-01; NCGC00016344-02; NCGC00016344-04; NCGC00016344-05; NCGC00016344-07; NCGC00090934-01; NCGC00090934-02; NCGC00257142-01; NCGC00259159-01; 5-amino-2-hydroxobenzoic acid monohydrate; AK-72925; BP-13074; BR-72925; CPD000145728; HY-15027; SAM001247020; SC-15695; SY002854; 5-Aminosalicylic acid, analytical standard; AB1001921; ST2411704; ST4109571; TR-032941; A0317; AB00374979; AM20060091; FT-0619950; SW197303-4; MFCD00007877 (98%); 1764-EP2272825A2; 1764-EP2275420A1; C07138; D00377; M-7246; 24215-EP2289518A1; 24215-EP2295053A1; 24215-EP2295409A1; 24215-EP2314574A1; 24215-EP2314590A1; 90701-EP2371811A2; AB00374979-09; AB00374979-10; AB00374979_11; AB00374979_12; Q412479; 5-amino-2-hydroxybenzoic acid,5-Aminosalicylic acid; Q-201355; SR-01000763486-3; SR-01000763486-4; SR-01000763486-9; Z57127471; F1918-0003; 5-Amino-2-hydroxybenzoic acid; 5-AS; Mesalamine; 5-ASA; Mesalazine, European Pharmacopoeia (EP) Reference Standard; Mesalamine, United States Pharmacopeia (USP) Reference Standard; Mesalamine, Pharmaceutical Secondary Standard; Certified Reference Material; InChI=1/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11; Mesalazine for system suitability, European Pharmacopoeia (EP) Reference Standard",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C7H7NO3",
"molecular_weight": "153.14",
"state": "solid",
"clearance": "The mean (SD) renal clearance in L/h for mesalazine following the single dose administration of mesalazine delayed-release tablets 4.8g under fasting conditions to young and elderly subjects was documented as 2.05 (1.33) in young subjects aged 18 to 35 years old, 2.04 (1.16) in elderly subjects aged 65 to 75 years old, and 2.13 (1.20) in elderly subjects older than 75 years [FDA Label].",
"volume_of_distribution": "The apparent volume of distribution (Vd) of the drug in adults is approximately 0.2 L/kg [L5122].",
"route_of_elimination": "Elimination of mesalazine is mainly via the renal route following metabolism to N-acetyl-5-aminosalicylic acid (acetylation) [FDA Label]. However, there is also limited excretion of the parent mesalazine drug in the urine [FDA Label].\n\nAfter the oral administration of the extended-release formulation of mesalazine, of the approximately 21% to 22% of the drug absorbed, less than 8% of the dose was excreted unchanged in the urine after 24 hours, compared with greater than 13% for N-acetyl-5-aminosalicylic acid [FDA Label].\n\nWhen given the controlled-release formulation, about 130 mg free mesalazine was recovered in the feces following a single 1-g dose, which was comparable to the 140 mg of mesalazine recovered from the molar equivalent sulfasalazine tablet dose of 2.5 g F3001]. Elimination of free mesalazine and salicylates in feces increased proportionately with the dose given. N-acetylmesalazine was the primary compound excreted in the urine (19% to 30%) following the controlled-release dosing [F3001].",
"protein_binding": "Mesalazine is approximately 43% bound to plasma proteins [FDA Label], [L5122].",
"half_life": "The apparent elimination half-life documented for oral delayed-release mesalazine tablets is 7 to 12 hours [L5122]. The elimination half-life recorded for the active N-acetyl-5-aminosalicylic acid metabolite generated from the administration of oral delayed-release mesalazine tablets is 12 to 23 hours [L5122].",
"absorption": "Depending on the formulation administered, prescribing information for orally administered delayed-released tablets of 2.4g or 4.8g of mesalazine given once daily for 14 days to healthy volunteers was to found to be about 21% to 22% of the administered dose [FDA Label] while prescribing information for an orally administered controlled-release capsule formulation suggests 20% to 30% of the mesalazine in the formulation is absorbed [F3001]. In contrast, when mesalamine is administered orally as an unformulated 1-g aqueous suspension, mesalazine is approximately 80% absorbed [F3001].",
"cid": "4075",
"classification": "A",
"indications": "",
"side_effects": "",
"atc_codes": "A07EC02",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0368",
"name": "Methyl aminolevulinate",
"synonyms": "Methyl aminolevulinate; Metvix; Aminolevulinic acid methyl ester; 5-Aminolevulinic acid methyl ester; methyl 5-amino-4-oxopentanoate; 33320-16-0; methyl 5-aminolevulinate; methyl delta-aminolevulinate; UNII-585NM85KYM; Levulinic acid, 5-amino-, methyl ester; 585NM85KYM; Pentanoic acid, 5-amino-4-oxo-, methyl ester; CHEBI:724125; NCGC00018251-03; Methyl-5-aminolevulinate; SCHEMBL8521; 5-Aminolavulinsauremethylester; CHEMBL1096562; DTXSID3048570; YUUAYBAIHCDHHD-UHFFFAOYSA-N; ZINC1909090; AKOS006220489; DB00992; MCULE-8571939531; NCGC00018251-01; NCGC00018251-02; NCGC00018251-04; NCGC00018251-05; DA-06782; 5-amino-4-oxo-pentanoic acid methyl ester; LS-187024; LS-187769; FT-0760150; D08204; Q619603",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C6H11NO3",
"molecular_weight": "145.16",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "In vitro, after 24 hours the mean cumulative absorption through human skin was 0.26% of the administered dose.",
"cid": "157922",
"classification": "L",
"indications": "",
"side_effects": "",
"atc_codes": "L01XD03",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0369",
"name": "Miltefosine",
"synonyms": "Miltefosine; 58066-85-6; Hexadecylphosphocholine; Impavido; Miltex; Hexadecylphosphorylcholine; Miltefosina; HDPC; Miltefosinum; n-Hexadecylphosphorylcholine; miltefosin; 1-Hexadecylphosphorylcholine; Miltefosin C; n-hexadecylphosphocholine; hexadecyl 2-(trimethylammonio)ethyl phosphate; Miltefosinum [INN-Latin]; Miltefosina [INN-Spanish]; hexadecyl phosphocholine; Miltefosine [INN:BAN]; D-18506; UNII-53EY29W7EC; NSC605583; C21H46NO4P; D 18506; monohexadecylphosphocholine; hexadecyl 2-(trimethylazaniumyl)ethyl phosphate; CHEMBL125; BRN 3690495; monohexadecylphosphorylcholine; 53EY29W7EC; CHEBI:75283; M-7200; PQLXHQMOHUQAKB-UHFFFAOYSA-N; MMV688990; 2-(((Hexadecyloxy)hydroxyphosphinyl)oxy)-N,N,N-trimethylethanaminium hydroxide, inner salt; Choline hydroxide, hexadecyl hydrogen phosphate, inner salt; NCGC00095169-01; AK163678; Miltefos; DSSTox_CID_25942; DSSTox_RID_81240; Ethanaminium, 2-(((hexadecyloxy)hydroxyphosphinyl)oxy)-N,N,N-trimethyl-, hydroxide, inner salt; DSSTox_GSID_45942; Fos-choline 16; Miltefosine (INN); CAS-58066-85-6; Choline hexadecyl phosphate; Miltextrade mark; HePC Hydrate; Impavidotrade mark; Impavido (TN); Choline, inner salt; Miltefosine, 98%; TF-002; NSC 605583; Choline phosphate, hexadecyl ester, hydroxide, inner salt (6CI); Hexadecyl Phosphorylcholine; D18506; H-1850; Ethanaminium, 2-(((hexadecyloxy)hydroxyphosphinyl)oxy)-N,N,N-trimethyl-, hydroxide, innner salt; SCHEMBL26215; 4-04-00-01460 (Beilstein Handbook Reference); SPECTRUM1505329; ETH098; DTXSID7045942; CTK8G1121; Choline phosphate, hexadecyl ester, hydroxide, inner salt; miltefosine-hexadecylphosphocholine; C15H32.C7H17NO4P; Hexadecyl Phosphorylcholine Hydrate; HMS1922D16; HMS2089J15; HMS3649I09; Pharmakon1600-01505329; hexadecylphosphocholine, miltefosine; BCP04506; miltefosine (hexadecylphosphocholine); Tox21_111466; BDBM50034220; BG0492; CCG-35584; CCG-36097; CCG-40025; DL-131; Hexadecyl 2-(trimethyl-.lambda.~5~-azanyl)ethyl hydrogen phosphate; MFCD00133396; NSC758968; s3056; 1-N-HEXADECYLPHOSPHORYLCHOLINE; AKOS015914886; Tox21_111466_1; BCP9000927; CS-2933; DB09031; NSC-605583; NSC-758968; KS-00000L54; NCGC00095169-02; NCGC00095169-03; NCGC00095169-05; HY-13685; LS-65132; BCP0726000071; FT-0608148; M2445; hexadecyloxy-2-trimethylammonioethylphosphorate; D02494; hexadecyl (2-(trimethylAmmonio)ethyl) phosphate; AB00642217-03; AB00642217_04; Miltefosine, >=98% (perchloric acid titration); A831718; Q411787; Hexadecyl 2-(Trimethylammonio)ethyl Phosphate Hydrate; 2-[hexadecoxy(hydroxy)phosphoryl]oxyethyl-trimethyl-ammonium; Phosphoric Acid Hexadecyl 2-(Trimethylammonio)ethyl Ester; [2-(Hexadecyloxy-hydroxy-phosphoryloxy)-ethyl]-trimethyl-ammonium; 3, 4-hydroxy-N,N,N-trimethyl-, hydroxide, inner salt, 4-oxide; hexadecyl 2-(trimethyl-lambda~5~-azanyl)ethyl hydrogen phosphate; Phosphoric Acid Hexadecyl 2-(Trimethylammonio)ethyl Ester Hydrate; 2-(((Hexadecyloxy)hydroxyphosphinyl)oxy)-N,N,N-trimethylethanaminium hydroxide; Ethanaminium, 2-[[(hexadecyloxy)hydroxyphosphinyl]oxy]-N,N,N-trimethyl-, inner salt",
"trade_name": "Impavido",
"abbrev_name": "",
"description": "broad spectrum antimicrobial, anti-leishmanial, phospholipid drug ;",
"molecular_formula": "C21H46NO4P",
"molecular_weight": "407.6",
"state": "solid",
"clearance": "Plasma clearance is very low and the terminal elimination half life was found to be 84 and 159 hours in rats and dogs respectively.",
"volume_of_distribution": "Radioactivity studies have found that miltefosine has a wide distribution with high levels in the kidney, intestinal mucosa, liver, and spleen.",
"route_of_elimination": "Miltefosine is almost completely eliminated by degradation via phospholipase D. Drug keeps accumulating until the end of treatment due to the extremely slow elimination, as seen by the long elimination half lives.",
"protein_binding": "Plasma protein binding ranges from 96% to 98%. Miltefosine binds to both serum albumin (97% bound) and low-density lipoprotein (3% bound).",
"half_life": "The primary elimination half life is 7.05 days (range: 5.45-9.10 days) and the terminal half-life is 30.9 days (range: 30.8-31.2 days).",
"absorption": "After oral administration, miltefosine is slowly absorbed from the gastrointestinal tract with an absolute bioavailability of 82% in rats and 94% in dogs. Absolute bioavailability has not been assessed in humans, however GI absorption rate in a two-compartment model is estimated to be 0.416 hr-1.",
"cid": "3599",
"classification": "L",
"indications": "",
"side_effects": "",
"atc_codes": "L01XX09",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0370",
"name": "Mito-4509",
"synonyms": "17alpha-Estradiol; 57-91-0; alpha-Estradiol; Alfatradiol; Epiestradiol; 17-alpha-Estradiol; Epiestrol; 3,17-Dihydroxyestratriene; 17a-estradiol; Estradiol-17alpha; 17-Epiestradiol; Estra-1,3,5(10)-triene-3,17alpha-diol; 17|A-estradiol; 17alpha estradiol; Alfatradiol [INN]; UNII-3VQ38D63M7; 17.alpha.-Estradiol; 17.alpha.-Oestradiol; Oestradiol-17.alpha.; Estradiol, 17.alpha.-; CHEBI:17160; VOXZDWNPVJITMN-SFFUCWETSA-N; 3VQ38D63M7; NSC 20293; 17-epi-Estradiol; Oestradiol-17alpha; (17alpha)-estra-1,3,5(10)-triene-3,17-diol; Alfatradiol (INN); Oestradiol-17-alpha; (8R,9S,13S,14S,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol; Epiestradial; DSSTox_CID_2377; DSSTox_RID_76564; DSSTox_GSID_22377; CCRIS 7203; C18H24O2; a-Estradiol; EINECS 200-354-8; NSC-20293; 1,3,5-Estratriene-3,17-alpha-diol; BRN 2698044; CAS-57-91-0; (1S,10R,11S,14R,15S)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-triene-5,14-diol; (8R,9S,13S,14S,17R)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol; Oestra-1,3,5(10)-triene-3,17alpha-diol; 3,17alpha-Dihydroxyestra-1,3,5(10)-triene; 3,17alpha-Dihydroxyoestra-1,3,5(10)-triene; 3,17-alpha-Dihydroxyoestra-1,3,5(10)-triene; 3,3,5(10)-triene; 17a-Oestradiol; 1,3,5-Estratriene-3,17.alpha.-diol; Estradiol-17|A; 17 alpha-estradiol; Estradiol, 17alpha-; Estra-1,3,5(10)-triene-3,17.alpha.-diol; Oestra-1,3,5(10)-triene-3,17.alpha.-diol; 3,17.alpha.-Dihydroxyestra-1,3,5(10)-triene; alpha-Estradiol, 98%; (17?)-Estra-1,3,5(10)-triene-3,17-diol; 3,17.alpha.-Dihydroxyoestra-1,3,5(10)-triene; UPCMLD-DP131; Estra-1,3,5(10)-triene-3,17-diol, (17-alpha)-; KBioGR_002281; KBioSS_002282; 4-06-00-06611 (Beilstein Handbook Reference); BIDD:ER0163; SCHEMBL121568; Estra-1,3,5(10)-triene-3,17-diol, (17a)-; CHEMBL286452; DTXSID8022377; UPCMLD-DP131:001; BDBM20624; CTK8G3930; HY-B0141A; KBio2_002281; KBio2_004849; KBio2_007417; KBio3_002761; MITO-4509; ABP-150; cMAP_000011; 1,3,5-Estratriene-3,17a-diol; NSC20293; ZINC3815415; Tox21_201262; Tox21_303644; LMST02010029; 1,5-Estratriene-3,17.alpha.-diol; AKOS024457306; AC-2168; GS-5672; MX-4509; NCGC00161666-01; NCGC00161666-02; NCGC00161666-03; NCGC00161666-04; NCGC00256569-01; NCGC00258814-01; alpha-Estradiol, powder, >=98% (TLC); SC-81163; Estra-1,3,5(10)-triene-3,17a-diol; Oestra-1,3,5(10)-triene-3,17a-diol; 3,17a-Dihydroxyestra-1,3,5(10)-triene; 3,17a-Dihydroxyoestra-1,3,5(10)-triene; B7201; CS-0014231; E0919; Estra-1,5(10)-triene-3,17.alpha.-diol; Oestra-1,5(10)-triene-3,17.alpha.-diol; C02537; D07121; 064E144; 13b-Methyl-1,3,5(10)-gonatriene-3,17a-diol; 17-alpha-Estradiol 100 microg/mL in Acetonitrile; alpha-Estradiol, VETRANAL(TM), analytical standard; Q4721888; WLN: L E5 B666TTT&J E1 FQ OQ 17-ALPHA; 13beta-methyl-1,3,5(10)-gonatrien-3,17alpha-diol; Estra-1,5(10)-triene-3,17-diol, (17.alpha.)-; 23E54080-77C2-4457-A388-FCBCE0B68C38; 17alpha-Estradiol (17-epi-Estradiol; Estra-1,3,5(10)-triene-3,17alpha-diol); Estra-1,3,5(10)-triene-3,17alpha-diol (17alpha-Estradiol; 17-epi-Estradiol)",
"trade_name": "",
"abbrev_name": "",
"description": "a non-feminizing estrogen analog that could affect mitochondrial metabolic pathways",
"molecular_formula": "C18H24O2",
"molecular_weight": "272.4",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "68570",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01600",
"RC02221",
"RC02842"
]
},
{
"compound_ID": "D0371",
"name": "Mitoquinone",
"synonyms": "mitoquinone; Mitoquinone cation; 444890-41-9; UNII-47BYS17IY0; 47BYS17IY0; MitoQ; Mitoquinone ion; CHEMBL1229093; SCHEMBL12135674; EX-A926; BCP19134; HY-100116; CS-0018095; A17092; Q27259044; (10-(2,5-Dihydroxy-3,4-dimethoxy-6-methylphenyl)decyl)triphenyl phosphonium",
"trade_name": "",
"abbrev_name": "MitoQ",
"description": "Mitochondria-targeted antioxidant",
"molecular_formula": "C37H44O4P+",
"molecular_weight": "583.7",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "11388332",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0504",
"F050501"
],
"references": [
"RC03696",
"RC03997"
]
},
{
"compound_ID": "D0372",
"name": "motexafin gadolinium",
"synonyms": "Motexafin gadolinium; Gadolinium texaphyrin; 156436-89-4; UNII-0BG5NE3APZ; 0BG5NE3APZ; BCP27920; DB05428; 33915-EP2275420A1; 33915-EP2295055A2; 33915-EP2295416A2; 33915-EP2298748A2; 33915-EP2298764A1; 33915-EP2298765A1; 33915-EP2305642A2; 33915-EP2311453A1; 42196-EP2272516A2; 42196-EP2311808A1; 42196-EP2311829A1; Q11786072",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C52H72GdN5O14",
"molecular_weight": "1148.4",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "158385",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0373",
"name": "Nedaplatin",
"synonyms": "Nedaplatin; cis-Diammine(glycolato)platinum(II); (Glycolato-O,O')diammineplatinum(II); CDGP; 95734-82-0; CHEBI:31898; DB13145; (SP-4-3)-diammine[(hydroxy-kappaO)acetato(2-)-kappaO]platinum",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C2H10N2O3Pt+2",
"molecular_weight": "305.2",
"state": "solid",
"clearance": "Clearance of the free platinum is 4.47 L/h [A20307].",
"volume_of_distribution": "The volume of distribution of free platinum is 12.0 L [A20307].",
"route_of_elimination": "Most of the platinum from nedaplatin is eliminated in the urine (59.6%) [A20306].",
"protein_binding": "Approximately 50% of the platinum from nedaplatin appears to be bound to human plasma proteins [A20306].",
"half_life": "",
"absorption": "",
"cid": "9548889",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0374",
"name": "Niclosamide",
"synonyms": "niclosamide; 50-65-7; Niclocide; 5-Chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide; Bayluscid; Phenasal; Tredemine; Fenasal; Yomesan; Dichlosale; Helmiantin; Atenase; Cestocid; Devermin; Devermine; Iomesan; Iomezan; Mansonil; Radeverm; Sagimid; Vermitid; Lintex; Nasemo; Sulqui; Mato; Fedal-Telmin; Bayer 73; Radewerm; Zestocarp; Bayer 2353; 2',5-Dichloro-4'-nitrosalicylanilide; Chemagro 2353; BAY 2353; Benzamide, 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-; 5-Chloro-2'-chloro-4'-nitrosalicylanilide; C13H8Cl2N2O4; nicolsamide; HL 2447; Niclosamidum [INN-Latin]; UNII-8KK8CQ2K8G; Niclosamida [INN-Spanish]; Nitrophenyl chlorsalicylamide; ENT 25823; 2-Hydroxy-5-chloro-N-(2-chloro-4-nitrophenyl)benzamide; N-(2-Chloro-4-nitrophenyl)-5-chlorosalicylamide; Niclosamide [USAN:INN:BAN]; CCRIS 3437; 2-Chloro-4-nitrophenylamide-6-chlorosalicylic acid; WR 46234; HSDB 1572; Salicylanilide, 2',5-dichloro-4'-nitro-; 2',5-Dichlor-4'-nitro-salizylsaeureanilid; Niclosamide [BSI:ISO]; EINECS 200-056-8; NSC 178296; 5-Chloro-N-(2'-chloro-4'-nitrophenyl)salicylamide; BRN 2820605; 8KK8CQ2K8G; SR 73; AI3-25823; 5-Chlorosalicyloyl-(o-chloro-p-nitranilide); B 2353; RJMUSRYZPJIFPJ-UHFFFAOYSA-N; N-(2'-Chlor-4'-nitrophenyl)-5-chlorsalicylamid; 2',5-Dichlor-4'-nitro-salizylsaeureanilid [German]; Niclosamide Anhydrous; Niclosamide, 97+%; CAS-50-65-7; N-(2'-Chlor-4'-nitrophenyl)-5-chlorsalicylamid [German]; NCGC00015735-07; DSSTox_CID_20362; DSSTox_RID_79485; DSSTox_GSID_40362; N-(2'-Chloro-4'-nitrophenyl)-5-chlorosalicylamide; Niclosamida; Niclosamidum; Cestocide; SR-01000076024; Yomensan; Ruby; Niclocide (TN); Prestwick_354; niclosamide-niclocide; Mollutox (Salt/Mix); Spectrum_000239; Niclosamide (Niclocide); Clonitralid (Salt/Mix); Clonitralide (Salt/Mix); Prestwick0_000040; Prestwick1_000040; Prestwick2_000040; Prestwick3_000040; Spectrum2_001183; Spectrum3_000667; Spectrum4_000196; Spectrum5_001083; Lopac-N-3510; Niclosamide (USAN/INN); CHEMBL1448; Lopac0_000866; Oprea1_259151; SCHEMBL67182; BSPBio_000139; BSPBio_002333; KBioGR_000771; KBioSS_000719; MLS002154181; DivK1c_000709; SPECTRUM1503265; SPBio_001225; SPBio_002060; BPBio1_000153; CHEBI:7553; GTPL8494; DTXSID7040362; SCHEMBL18563900; WLN: WNR CG DMVR BQ EG; BDBM11242; CTK8G1852; HMS502D11; KBio1_000709; KBio2_000719; KBio2_003287; KBio2_005855; KBio3_001553; KS-00000JFD; 5-Chloro-N-(2-chloro-4-nitro-phenyl)-2-hydroxy-benzamide; BAY2353; NINDS_000709; HMS1568G21; HMS2093A21; HMS2095G21; HMS2231H06; HMS3262N13; HMS3373P08; HMS3712G21; KUC107299N; Pharmakon1600-01503265; BAY-2353; BCP22958; HY-B0497; ZINC3874496; Tox21_110209; Tox21_300749; Tox21_500866; BBL004110; CCG-39641; MFCD00057597; NSC178296; NSC758440; s3030; Salicylanilide,5-dichloro-4'-nitro-; STK396676; 2,5-dichloro-4-nitrosalicylanilide ?; AKOS003589004; Tox21_110209_1; BCP9000068; CS-2618; DB06803; KS-5210; LP00866; MCULE-9985514311; NSC-178296; NSC-758440; SB19414; 2',5'-Dichloro-4'-nitrosalicylanilide; IDI1_000709; SMP2_000228; 5-chloro-N-(2-chloro-4-nitrophenyl)-; NCGC00015735-01; NCGC00015735-02; NCGC00015735-03; NCGC00015735-04; NCGC00015735-05; NCGC00015735-06; NCGC00015735-08; NCGC00015735-09; NCGC00015735-11; NCGC00015735-12; NCGC00094190-01; NCGC00094190-02; NCGC00094190-03; NCGC00094190-04; NCGC00254654-01; NCGC00261551-01; AK173020; I012; KSC-18-157-2; SC-46581; SMR000058390; SBI-0050841.P003; AB0013423; AB1011456; DB-051812; LS-144196; VU0243604; AB00052340; EU-0100866; FT-0603220; ST50408862; T7903; EN300-92958; D00436; N 3510; AB00052340_08; AB00052340_09; A828227; Q418523; Q-201469; SR-01000076024-1; SR-01000076024-3; SR-01000076024-6; BRD-K35960502-001-06-9; BRD-K35960502-001-11-9; Z57902203; 5-Chloro-N-(2-chloro-4-nitrophenyl) -2-hydroxybenzamide; 5-CHLORO-N-(2-CHLORO-4-NITROPHENYL)-SALICYLAMIDE/N; (5-chloro-2-hydroxyphenyl)-N-(2-chloro-4-nitrophenyl)carboxamide; 5-chloranyl-N-(2-chloranyl-4-nitro-phenyl)-2-oxidanyl-benzamide; Niclosamide (anhydrous), European Pharmacopoeia (EP) Reference Standard; 2 inverted exclamation marka,5-Dichloro-4 inverted exclamation marka-nitrosalicylanilide",
"trade_name": "Niclocide",
"abbrev_name": "",
"description": "medication used to treat tapeworm infestations (blocking the uptake of sugar by the worm); anthelmintic drug",
"molecular_formula": "C13H8Cl2N2O4",
"molecular_weight": "327.12",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "Niclosamide appears to be minimally absorbed from the gastrointestinal tract—neither the drug nor its metabolites have been recovered from the blood or urine.",
"cid": "4477",
"classification": "P",
"indications": "",
"side_effects": "",
"atc_codes": "P02DA01",
"group": "Drug",
"drug_type": "",
"target": [
"T409"
],
"function": [
"F0108",
"F020403",
"F030603",
"F0701"
],
"references": [
"RC02032",
"RC02653",
"RC03274",
"RC03905",
"RC03906",
"RC04945"
]
},
{
"compound_ID": "D0375",
"name": "Nigericin",
"synonyms": "nigericin; Polyetherin A; Azalomycin M; Helixin C; Antibiotic K 178; Antibiotic X-464; UNII-RRU6GY95IS; RRU6GY95IS; BRN 1696755; Epinigericin; CHEBI:7569; 28380-24-7; X-464; (2R)-2-[(2R,3S,6R)-6-{[(2S,4R,5R,7R,9R,10R)-2-{(2S,2'R,3'S,5R,5'R)-5'-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyltetrahydro-2H-pyran-2-yl]-2,3'-dimethyloctahydro-2,2'-bifuran-5-yl}-9-methoxy-2,4,10-trimethyl-1,6-dioxaspiro[4.5]dec-7-yl]methyl}-3-methyltetrahydro-2H-pyran-2-yl]propanoic acid; Pandavir; Helix C; NSC292567; C40H68O11; 28643-80-3; BSPBio_001599; SCHEMBL149611; CHEMBL405862; DTXSID9041079; HMS1791P21; HMS1989P21; HMS3402P21; ZINC85552063; NCGC00163412-02; LS-96660; HY-127019; CS-0091495; C11609; SR-05000002332; Q7033077; SR-05000002332-2; UNII-VZ2M4595UZ component DANUORFCFTYTSZ-SJSJOXFOSA-N; (2R)-2-((3S)-6-{[2-((5S)-5-{(3S)-5-[(3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethylperhydro-2H-pyran-2-yl]-3-methyloxolan-2-yl}-5-methyloxolan-2-yl)(2S,4R,9R,10R)-9-methoxy-2,4,10-trimethyl-1,6-dioxaspiro[4.5]dec-7-yl]methyl}-3-methylperhydro-2H-pyran-2-yl)propanoic acid; (2R)-2-[(2R,3S,6R)-6-[[(1R,3S,5R,6R,7R,9R)-3-[(2R,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-tetrahydropyran-2-yl]-3-methyl-tetrahydrofuran-2-yl]-5-methyl-tetrahydrofuran-2-yl]-7-methoxy-1,3,6-trimethyl-4,10-dioxaspiro[4.5]decan-9-yl]methyl]-3-methyl-tetrahydropyran-2-yl]propanoic acid",
"trade_name": "",
"abbrev_name": "",
"description": "antibiotic; H+, K+, Pb2+ ionophore; commonly an antiporter of H+ and K+.",
"molecular_formula": "C40H68O11",
"molecular_weight": "725",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "34230",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F010603"
],
"references": [
"RC03489"
]
},
{
"compound_ID": "D0376",
"name": "Nitazoxanide",
"synonyms": "NITAZOXANIDE; 55981-09-4; Alinia; Nitazoxanida; Nitazoxamide; Nitazoxanidum; Daxon; 2-((5-nitrothiazol-2-yl)carbamoyl)phenyl acetate; Nitazoxanidum [INN-Latin]; Nitazoxanida [INN-Spanish]; 2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl acetate; 2-(Acetolyloxy)-N-(5-nitro-2-thiazolyl)benzamide; Benzamide, 2-(acetyloxy)-N-(5-nitro-2-thiazolyl)-; UNII-SOA12P041N; NSC 697855; C12H9N3O5S; NTZ; [2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate; EINECS 259-931-8; NSC697855; 2-Acetyloxy-N-[(5-nitro-2-thiazolyl)]benzamide; (2-((5-Nitro-2-thiazolyl)carbamoyl)phenyl)acetat; BRN 1225475; N-(5-Nitro-2-thiazolyl)salicylamide acetate (ester); Nitazoxanide (Alinia, Annita); SOA12P041N; N-(5-Nitrothiazol-2-yl)salicylamide acetate ester; o-(N-(5-Nitrothiazol-2-yl)carbamoyl)phenyl acetate; PH-5776; Salicylamide, N-(5-nitro-2-thiazolyl)-, acetate (ester); NCGC00090774-01; Nitazoxanid; AK-26130; Colufase; CPD000466367; Cryptaz; Heliton; Taenitaz; DSSTox_CID_13757; DSSTox_RID_79095; DSSTox_GSID_33757; Phavic-1; Q-201475; acetic acid [2-[[(5-nitro-2-thiazolyl)amino]-oxomethyl]phenyl] ester; Nitazoxanide [USAN:INN]; SMR000466367; Alinia (TN); AZT + Nitazoxanide; CAS-55981-09-4; Nitazoxanide (USAN/INN); Nitaxozanid; Nitaxozanide; Pacovanton; Adrovet; Dexidex; Kidonax; Nitazox; Omniparax; Paramix; Nitax; Nodik; Toza; Nitazoxanide [USAN:INN:BAN]; Alinia(TM); Nitazoxanide(Alinia); NCIMech_000843; CHEMBL1401; 2-(Acetyloxy)-N-(5-nitro-2-thiazolyl)benzamide; Oprea1_263587; SCHEMBL40981; MLS000759492; MLS001424074; MLS006010127; [2-[(5-nitrothiazol-2-yl)carbamoyl]phenyl] acetate; DTXSID5033757; CHEBI:94807; KS-00000VRX; Nitazoxanide, >=98% (HPLC); NTZ;NSC 697855; HMS2051L04; HMS3393L04; HMS3655M11; HMS3715F10; Pharmakon1600-01503843; BCP13918; HY-B0217; ZINC3956788; Tox21_111018; Tox21_201226; BDBM50075050; BG0652; CCG-35851; CN0040; MFCD00416599; MMV688991; NSC760057; STK395664; AKOS015915393; Tox21_111018_1; AC-1302; API0015832; DB00507; KS-1160; MCULE-8701444531; NC00246; NSC-697855; NSC-760057; PH 5776; NCGC00090774-02; NCGC00090774-03; NCGC00090774-04; NCGC00090774-05; NCGC00258778-01; BR-26130; CC-32885; NCI60_034935; SAM001246708; AB0010620; AB2000173; AX8040854; LS-144176; ST2409239; 4CH-006389; FT-0082459; FT-0601547; N1031; S1627; ST51059722; SW197626-2; 2-(5-nitrothiazol-2-ylcarbamoyl)phenyl acetate; D02486; EN300-220095; J10428; S-3645; AB00639988-07; AB00639988-09; AB00639988_10; AB00639988_11; 981N094; A830877; C-23836; Q2943789; NTZ; 2-(Acetyloxy)-N-(5-nitro-2-thiazolyl)benzamide; Salicylamide, N-(5-nitro-2-thiazolyl)- acetate (ester); Z1514087129; 2-[N-(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl acetate; [2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] ethanoate; Nitazoxanide, United States Pharmacopeia (USP) Reference Standard; Zox",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C12H9N3O5S",
"molecular_weight": "307.28",
"state": "solid",
"clearance": "Nitazoxanide is cleared in the urine and feces. The metabolite, tizoxanide, is also found in the urine, plasma, and breastmilk [L1424]. The drug is not found unchanged in the urine [L1424].",
"volume_of_distribution": "",
"route_of_elimination": "Tizoxanide is excreted in the urine, bile and feces, and tizoxanide glucuronide is excreted in urine and bile. Approximately 2/3 of the oral dose of nitazoxanide is excreted in the faeces and 1/3 in the urine [FDA label, A31981].",
"protein_binding": "Very High (greater than 99%), bound to proteins in the plasma [FDA label, A31981].",
"half_life": "7.3h [L1422]",
"absorption": "The relative bioavailability of the suspension compared to the tablet was 70%. When administered with food the AUC and C<sub>max</sub> increased by two-fold and 50%, respectively, for the tablet and 45 to 50% and ≤ 10%, respectively, for the oral suspension [FDA label].",
"cid": "41684",
"classification": "P",
"indications": "Diarrhoea; Immunodeficiency",
"side_effects": "Vomiting (0.00011); Abdominal pain; Diarrhoea; Gastrointestinal pain; Headache; Nausea",
"atc_codes": "P01AX11",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC02037",
"RC02658",
"RC03279"
]
},
{
"compound_ID": "D0377",
"name": "Nitrofurantoin",
"synonyms": "nitrofurantoin; 67-20-9; Macrodantin; 5-Nitrofurantoin; Furadantin; Furadonine; Nitrofurantoine; Furadantine; Furadantoin; Furadoine; Furadontin; Furantoin; Nifurantin; Nitrofuradantin; Nitrofurantoina; Berkfurin; Chemiofuran; Furachel; Furadonin; Furatoin; Furobactina; Macrobid; Novofuran; Orafuran; Parfuran; Trantoin; Urantoin; Urofurin; Welfurin; Zoofurin; Cyantin; Cystit; Furalan; Furina; Ituran; Nitoin; Urizept; Urodin; Urolong; Nitrofurantoinum; Furadantine mc; Uro-Tablinen; Fur-ren; Furadoninum; Macrofuran; Benkfuran; Dantafur; Furaloid; Nierofu; Macpac; Nitrex; Fua Med; N-Toin; Macrodantina; Berkfuran; Cistofuran; Gerofuran; Macrofurin; Nifuretten; Phenurin; Siraliden; Uerineks; Urofuran; Alfuran; Ceduran; Furabid; Furedan; PiyEloseptyl; Urolisa; Usaf ea-2; Furadantina MC; Furadantine-MC; Furophen T; Nitrofur-C; Ro-Antoin; Furadantin Retard; Uro-Selz; 1-(5-Nitro-2-furfurylideneamino)hydantoin; N-(5-Nitrofurfurylidene)-1-aminohydantoin; N-(5-Nitro-2-furfurylidene)-1-aminohydantoin; 1-((5-Nitrofurfurylidene)amino)hydantoin; 1-[(5-Nitrofurfurylidene)amino]hydantoin; 1-(5-Nitro-2-furfurylidenamino)hydantoin; Nitrofurantoina [DCIT]; NITROFURANTOIN, MACROCRYSTALLINE; Nitrofurantoine [INN-French]; Nitrofurantoinum [INN-Latin]; NCI-C55196; NSC 2107; NITROFURANTOIN MACROCRYSTALLINE; NSC 44150; N-(5-Nitro-2-furfurylideno)-1-aminohydantoina; CCRIS 1192; UNII-927AH8112L; HSDB 3135; EINECS 200-646-5; N-(5-Nitro-2-furfurylideno)-1-aminohydantoina [Polish]; AI3-26388; MLS000028500; CHEBI:71415; Hydantoin, 1-((5-nitrofurfurylidene)amino)-; 1-[[(5-Nitro-2-furanyl)methylene]amino]-2,4-imidazolidinedione; 1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione; 2,4-Imidazolidinedione, 1-(((5-nitro-2-furanyl)methylene)amino)-; 2,4-Imidazolidinedione, 1-[[(5-nitro-2-furanyl)methylene]amino]-; Ivadantin; MFCD00003224; C8H6N4O5; 927AH8112L; SMR000058271; 1-(((5-Nitrofuran-2-yl)methylene)amino)imidazolidine-2,4-dione; 1-{[(1E)-(5-nitrofuran-2-yl)methylidene]amino}imidazolidine-2,4-dione; furophen; urodil; Furodantin; Fuamed; uro-tablineu; 1-(((5-nitro-2-furanyl)methylene)amino)-2,4-imidazolidinedione; 1-(((5-Nitrofuran-2-yl)methylene)-amino)imidazolidine-2,4-dione; fua-med; 1-{[(E)-(5-nitrofuran-2-yl)methylidene]amino}imidazolidine-2,4-dione; 2,4-Imidazolidenedione, 1-(((5-nitro-2-furanyl)methylene)amino)-; Nitrofurantoin, 98%; Furadantin (TN); NITROFURANTION; Hydantoin, 1-[(5-nitrofurfurylidene)amino]-; SR-05000001681; Nitrofurantoin [USAN:INN:BAN:JAN]; NSC2107; Furantoina; Furadoin; Furadoxyl; Uvamin; NSC-2107; NSC44150; 1-[[(5-nitrofuran-2-yl)methylene]amino]imidazolidine-2,4-dione; Nitrofurantoin (JAN/USP/INN); Furophen T-Caps; NCGC00091505-01; NCGC00091505-07; Prestwick_358; Nitrofurantoin Macro; 5-Nitrofurantoindorn; J01XE01; Nitrofurantoin [USP:INN:BAN:JAN]; PubChem6954; ND-3320; ND-7248; Nitrofurantoin, 97%; Nitrofurantoin anhydrous; 1-[(5-:nitrofurfurylidene)amino]hydantoin; Nitrofurantoinum anhydrous; Prestwick2_000168; Prestwick3_000168; Spectrum5_001367; Nitrofurantoin macrocrystal; Nitrofurantoin, crystalline; CHEMBL572; Nitrofurantoin Macrocrystals; cid_4509; N-(5-nitro-2-furfurylidene)-1-aminohyda ntoin; Nitrofurantoin, macrocrystals; SCHEMBL29470; SCHEMBL29472; BSPBio_000035; BSPBio_002073; 1-{[(5-nitro-2-furyl)methylene]amino}imidazolidine-2,4-dione; ARONIS27199; BIDD:GT0181; SPECTRUM1500433; 1-{[(5-nitrofuran-2-yl)methylidene]amino}imidazolidine-2,4-dione; BPBio1_000039; BDBM57045; CHEBI:95222; HMS500L06; NXFQHRVNIOXGAQ-YCRREMRBSA-N; HMS1568B17; HMS1920P21; HMS2091H16; HMS2095B17; HMS3712B17; Pharmakon1600-01500433; 1-[(E)-(5-nitro-2-furyl)methyleneamino]imidazolidine-2,4-dione; HY-A0090; ZINC7997568; 1-{[(1E)-(5-nitro-2-furyl)methylene]amino}imidazolidine-2,4-dione; CCG-40108; NSC757243; s4536; SBB056985; STK009471; STL454163; AKOS001678301; DB00698; LS-1560; NSC-757243; RTR-022602; IDI1_000224; NCGC00091505-03; NCGC00091505-04; NCGC00091505-05; NCGC00091505-06; NCGC00091505-08; NCGC00091505-09; NCGC00091505-10; CPD000058271; SAM002554913; SC-06194; 1-((5-nitrofurfurylidene)amino)-hydantoin; SBI-0051457.P003; TR-022602; AB00513815; N0883; ST24031483; A16008; C07268; D00439; J10193; Z-1941; AB00052052_03; A835659; Hydantoin, n-(5-nitro-2-furfurylidene)-1-amino-; Nitrofurantoin, VETRANAL(TM), analytical standard; Q-201479; SR-05000001681-1; SR-05000001681-2; SR-05000001681-3; SR-05000001681-4; BRD-K76927775-001-05-0; Nitrofurantoin, Antibiotic for Culture Media Use Only; Hydantoin, 1-[(5-nitrofurfurylidene)amino]- (7CI,8CI); 1-((5-nitro-2-furanyl)methylene)amino-2,4-imidazolidenedione; (E)-1-[(5-nitro-2-furyl)methylideneamino]imidazolidine-2,4-dione; 1-([(5-Nitro-2-furyl)methylidene]amino)-2,4-imidazolidinedione #; 1-[(E)-(5-nitro-2-furanyl)methylideneamino]imidazolidine-2,4-dione; Nitrofurantoin, United States Pharmacopeia (USP) Reference Standard; (E)-1-(((5-Nitrofuran-2-yl)methylene)amino)imidazolidine-2,4-dione; 1-[(1E)-2-(5-nitro(2-furyl))-1-azavinyl]-1,3-diazolidine-2,4-dione; 1-{[(E)-1-(5-nitro-2-furyl)methylidene]amino}-1H-imidazole-2,4(3H,5H)-dione; 4-hydroxy-1-{[(E)-(5-nitrofuran-2-yl)methylidene]amino}-1,5-dihydro-2H-imidazol-2-one; N-(5-Nitro-2-furfurylidine)-1-aminohydantoin; N-(5-Nitrofurfurylidene)-1aminohydantoin; Nitrofurantoin, Pharmaceutical Secondary Standard; Certified Reference Material; 178170-37-1",
"trade_name": "Macrobid, Macrodantin",
"abbrev_name": "",
"description": "nitrofuran antibiotic; Nitrofurantoin is converted by bacterial nitroreductases to electrophilic intermediates which inhibit the citric acid cycle as well as synthesis of DNA, RNA, and protein.",
"molecular_formula": "C8H6N4O5",
"molecular_weight": "238.16",
"state": "solid",
"clearance": "The clearance of nitrofurantoin is 16.7-19.4L/h.[A179830]",
"volume_of_distribution": "Data regarding the volume of distribution in humans is scarce but it has been reported as 0.46L/kg in dogs.[A179857]",
"route_of_elimination": "27-50% of an oral dose is excreted in the urine as unchanged nitrofurantoin.[A179830] 90% of the total dose is eliminated in the urine.[A179836]",
"protein_binding": "Nitrofurantoin could be up to 90% protein bound in plasma.[A179806]",
"half_life": "The half life of nitrofurantoin is 0.72-0.78h.[A179830]",
"absorption": "Nitrofurantoin reaches a C<sub>max</sub> of 0.875-0.963mg/L with an AUC of 2.21-2.42mg\\*h/L.[A179830] It is 38.8-44.3% bioavailable.[A179830] Taking nitrofurantoin with food increases the absorption and duration of therapeutic concentrations in the urine.[A179854]",
"cid": "6604200",
"classification": "J",
"indications": "Abscess; Angioedema; Arthralgia; Asthma; Bacteriuria; Bladder pain; Body temperature increased; Cystitis noninfective; Dermatitis; Drug hypersensitivity; Infection; Musculoskeletal discomfort; Pancreatitis; Pruritus; Pyelonephritis; Rash; Sialoadenitis; Urinary tract infection; Urticaria",
"side_effects": "Flatulence (0.00015); Headache (6e-04); Nausea (8e-04)",
"atc_codes": "J01XE01; J01XE51",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T002",
"T408"
],
"function": [
"F0105",
"F0108",
"F0201",
"F02010103",
"F020103",
"F020105",
"F020403",
"F0303"
],
"references": [
"RC00702",
"RC00703",
"RC00704",
"RC00705",
"RC00706",
"RC00707",
"RC00708",
"RC00709",
"RC00710",
"RC00723",
"RC00724",
"RC00725",
"RC00726",
"RC00727",
"RC00728",
"RC00729",
"RC00939",
"RC00990",
"RC02038",
"RC02659",
"RC03280",
"RC04101",
"RC04225",
"RC04349",
"RC04473",
"RC04597",
"RC04946"
]
},
{
"compound_ID": "D0378",
"name": "Octocrylene",
"synonyms": "Octocrylene; 6197-30-4; 2-Ethylhexyl 2-cyano-3,3-diphenylacrylate; Octocrilene; 2-Propenoic acid, 2-cyano-3,3-diphenyl-, 2-ethylhexyl ester; Octocrilenum [INN-Latin]; Octocrileno [INN-Spanish]; UV Absorber-3; 2-ethylhexyl 2-cyano-3,3-diphenylprop-2-enoate; CCRIS 4814; EINECS 228-250-8; 2-Cyano-3,3-diphenylacrylic Acid 2-Ethylhexyl Ester; MLS002454364; 2-Ethylhexyl 2-cyano-3,3-diphenyl-2-acrylate; FMJSMJQBSVNSBF-UHFFFAOYSA-N; 2-Ethylhexyl 2-cyano-3,3-diphenyl-2-propenoate; Octocrilene (INN); Octocrilene [INN]; NCGC00091585-03; NCGC00091585-05; AK-78708; SMR001371988; DSSTox_CID_5299; DSSTox_RID_77734; DSSTox_GSID_25299; Q-201499; Octocrileno; Octocrilenum; CAS-6197-30-4; Octocrylene [USAN]; Octocrylene [USAN:USP]; Octocrilen; Octocrylene (USP); Neo heliopan 303; Uvinul N539; Parsol 340; PubChem13147; Uvinul N-539; ACMC-209myd; 2-ethylhexyl 2-cyano-3,3-diphenyl-acrylate; EC 228-250-8; SCHEMBL16483; cid_22571; KSC490A7F; Octocrylene, analytical standard; CHEMBL1201147; DTXSID9025299; BDBM74416; CTK3J0072; KS-00000VDD; 2-Cyano-3,3-diphenyl-2-propenoic acid 2-ethylhexyl ester; CHEBI:135526; HMS3039D04; BCP15293; HY-A0087; Octyl 2-Cyano-3,3-diphenylacrylate; Tox21_111153; Tox21_200236; 2-CYANO-3,3-DIPHENYL-2-PROPENOIC ACID, 2-ETHYLHEXYL ESTER; ANW-34019; SBB057163; AKOS015900539; Tox21_111153_1; AC-7027; CS-4296; LS-1477; MCULE-9077867311; RTR-021314; NCGC00091585-01; NCGC00091585-04; NCGC00091585-06; NCGC00257790-01; AS-13821; CC-10529; OR350157; SC-18390; AB2000272; AX8001674; TR-021314; 2-ethylhexyl alpha-cyano-beta-phenylcinnamate; 2-ethylhexyl-alpha-cyano-beta-phenylcinnamate; FT-0612234; ST24027984; ST50997517; D05227; J10375; 2-Ethylhexyl 2-cyano-3,3-diphenylacrylate, 97%; C-20921; Q424805; SR-01000864577; SR-01000864577-2; 2-cyano-3,3-diphenyl-acrylic acid 2-ethylhexyl ester; 2-cyano-3,3-diphenylacrylic acid-2-ethylhexyl ester; 2-cyano-3,3-diphenyl-acrylic acid 2-ethyl-hexyl ester; 2-Ethylhexyl 2-Cyano-3,3-diphenylacrylate (Octocrylene); Octocrylene, United States Pharmacopeia (USP) Reference Standard; 2-Propenoic acid, 2-cyano-3,3-diphenyl-2-ethylhexyl ester; Octocrilene; Octocrylene, Pharmaceutical Secondary Standard; Certified Reference Material",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C24H27NO2",
"molecular_weight": "361.5",
"state": "",
"clearance": "Ecamsule is used topically, it not absorbed or metabolized.",
"volume_of_distribution": "Ecamsule is only used topically, it not absorbed.",
"route_of_elimination": "Ecamsule is used topically, it not absorbed.",
"protein_binding": "Ecamsule is only used topically, it not absorbed.",
"half_life": "Ecamsule is only used topically, it does not have half life",
"absorption": "Ecamsule is used topically, it not absorbed or metabolized.",
"cid": "22571",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0379",
"name": "PAC-113",
"synonyms": "X",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "X",
"molecular_weight": "X",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "X",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0380",
"name": "Parachlorophenol",
"synonyms": "4-CHLOROPHENOL; p-Chlorophenol; 106-48-9; parachlorophenol; Phenol, 4-chloro-; 4-Hydroxychlorobenzene; Phenol, p-chloro-; Applied 3-78; 4-Monochlorophenol; p-Chlorophenic acid; p-Chlorfenol; 4-Chloro-1-hydroxybenzene; p-Chlorfenol [Czech]; 4-Chlorphenol; Parachlorophenol [USP]; 4-chloro-phenol; NSC 2877; UNII-3DLC36A01X; CCRIS 642; HSDB 1414; C6H5ClO; EINECS 203-402-6; Parachlorophenol (JAN/USP); AI3-19422; 3DLC36A01X; CHEBI:28078; WXNZTHHGJRFXKQ-UHFFFAOYSA-N; MFCD00002318; NCGC00090814-01; 4-Chlorophenol, 99+%; DSSTox_CID_1871; DSSTox_RID_76376; DSSTox_GSID_21871; p-Chlorophenol, liquid [UN2021] [Keep away from food]; p-Chlorophenol, solid [UN2020] [Keep away from food]; CAS-106-48-9; 4chlorophenol; p-chloro phenol; para-chlorophenol; parachloro phenol; 4-chloro phenol; 4CH; Parachlorophenol,(S); p-Chlorophenol, solid; p-Chlorophenol, liquid; PubChem22009; Spectrum_000939; Spectrum2_000968; Spectrum3_000539; Spectrum4_000468; Spectrum5_001228; PARA CHLORO PHENOL; CHLOROPHENOL(4-); WLN: QR DG; 4-ClC6H4OH; ACMC-2098jw; bmse000461; EC 203-402-6; 4-Chlorophenol, >=99%; SCHEMBL28864; BSPBio_002157; KBioGR_000916; KBioSS_001419; KSC174K7J; MLS002454432; BIDD:ER0011; CHEMBL57053; DivK1c_000310; SPECTRUM1500460; SPBio_000975; PARAGOS 390356; ZINC1885; DTXSID1021871; BDBM36299; CTK0H4574; HMS500P12; KBio1_000310; KBio2_001419; KBio2_003987; KBio2_006555; KBio3_001657; KS-00000VEZ; RARECHEM FH 2C 0018; TIMTEC-BB SBB040864; NSC2877; NINDS_000310; OTAVA-BB 1506172; HMS1920F08; HMS2091N08; HMS2230B13; HMS3373O02; LABOTEST-BB LTBB002362; Pharmakon1600-01500460; 1-CHLORO-4-HYDROXY-BENZENE; NSC-2877; AKOS BBS-00004332; Tox21_111028; Tox21_201704; Tox21_302860; ANW-15354; CCG-40184; LS-401; NSC757263; SBB040864; STL194293; 4-Chlorophenol, for synthesis, 98%; AKOS000118967; Tox21_111028_1; AS00215; DB13154; MCULE-4022476067; MP-2149; NSC-757263; RTR-013097; TRA0010400; IDI1_000310; NCGC00090814-02; NCGC00090814-03; NCGC00090814-04; NCGC00090814-05; NCGC00090814-07; NCGC00256497-01; NCGC00259253-01; 4-Chlorophenol 10 microg/mL in Methanol; SC-19124; SMR001252242; 4-Chlorophenol 100 microg/mL in Methanol; SBI-0051474.P003; AB1003203; DB-028832; ST2411367; 4-Chlorophenol, puriss., >=99.0% (GC); CS-0005709; FT-0618238; ST50214454; C02124; D00149; 93919-EP2269977A2; 93919-EP2272509A1; 93919-EP2277858A1; 93919-EP2284157A1; 93919-EP2298743A1; 93919-EP2298747A1; 93919-EP2298750A1; 93919-EP2305625A1; AB00052066_06; 148113-EP2269977A2; 148113-EP2280005A1; 148113-EP2289884A1; 4-Chlorophenol, PESTANAL(R), analytical standard; SR-05000001691; J-001599; Q2179668; SR-05000001691-1; BRD-K40992116-001-05-5; F0001-0124; p-Chlorophenol, liquid [UN2021] [Keep away from food]; p-Chlorophenol, solid [UN2020] [Keep away from food]; Z1262246118; 1-CHLORO-1-(4-CHLOROPHENOXY)-3,3-DIMETHYLBUTANONE; UNII-AZ1041M258 component WXNZTHHGJRFXKQ-UHFFFAOYSA-N; UNII-E9JIO40PSX component WXNZTHHGJRFXKQ-UHFFFAOYSA-N; 1-(4-CHLOROPHENOXY)-1-CHLORO-3,3-DIMETHYL-2-BUTANONE; InChI=1/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8; Parachlorophenol, United States Pharmacopeia (USP) Reference Standard; 4-Chlorophenol solution, 725 mg/L in H2O, for AOX determination (according to DIN 38409-H14)",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C6H5ClO",
"molecular_weight": "128.55",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "87% of 4-chlorophenol was excreted in urine of dogs as sulfate and glucuronide.",
"protein_binding": "",
"half_life": "",
"absorption": "absorbed from gastrointestinal tract.",
"cid": "4684",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0381",
"name": "Pentaerythritol tetranitrate",
"synonyms": "PENTAERYTHRITOL TETRANITRATE; PETN; Nitropentaerythrite; Penthrite; Nitropentaerythritol; Nitropenta; Pentaerithrityl tetranitrate; Pentanitrine; Pentanitrol; Vasodiatol; Angicap; Baritrate; Corpent; Penthrit; Peritrate; Perityl; Quintrate; Antora; Erinit; 78-11-5; Peridex-LA; Pentaerythrityl tetranitrate; Deltrate-20; Neopentanetetrayl nitrate; Arcotrate; Cardiacap; Dipentrate; Duotrate; Hasethrol; Kaytrate; Lowetrate; Metranil; Mycardol; Niperyth; Nitrinal; Nitrolong; Nitropent; Nitropenton; Nitrotalans; Pentafin; Pentitrate; Pentrate; Pentrite; Pentritol; Pentryate; Pergitral; Prevangor; Rythritol; Subicard; Tanipent; Tetrasule; Angitet; Lentrat; Niperyt; Pencard; Terpate; Vasolat; Extex; CHOT; PENT; Nitro-Riletten; Neo-Corovas; Pen-Tetra; Nitropenta 7W; Tetranitropentaerythrite; Pentritol tempules; Tranite D-Lay; Pentestan-80; Dilcoran-80; Martrate-45; Myotrate 10; Tentrate-20; Pentral 80; C 2 (explosive); Pentetrate Unicelles; Pentaerythrite tetranitrate; Pentanitrolum; Erynitum; Mikardol; Nitrinol; Pentarit; Pentriol; Vasitol; Tetranitropentaerythritol; Pentaerythritylium tetranitricum; Pentryate 80; 1,3-Dinitrato-2,2-bis(nitratomethyl)propane; Deltrate 20; Dilcoran 80; Martrate 45; Vaso-80 unicelies; El PETN; Pentaerythritol nitrate; LX 16 (explosive); 2,2-Bis(hydroxymethyl)-1,3-propanediol tetranitrate; Vaso-80; Pentaerithrityli tetranitras; XTX 8003; Pentaerythritol, tetranitrate; UNII-10L39TRG1Z; SDM No. 23; Tetranitrato de pentaeritritilo; CCRIS 2387; PBXN 301; Tetranitrate de pentaerithrityle; Tetranitrate de pentaerythrityle; 1,3-Propanediol, 2,2-bis[(nitrooxy)methyl]-, dinitrate (ester); HSDB 6313; LX 13; NCI-C55743; Pentaeritrile tetranitrato [DCIT]; PETN, NF; EINECS 201-084-3; Pentaerythritol tetranitrate, diluted; NA0150; UN0411; LX 02-1; LX 08-0; 2,2-Bisdihydroxymethyl-1,3-propanediol tetranitrate; BRN 1716886; Pentaerithrityli tetranitras [INN-Latin]; 10L39TRG1Z; CHEBI:25879; Tetranitrate de pentaerithrityle [INN-French]; Tetranitrato de pentaeritritilo [INN-Spanish]; 1,3-Propanediol, 2,2-bis((nitrooxy)methyl)-, dinitrate (ester); TZRXHJWUDPFEEY-UHFFFAOYSA-N; NCGC00159388-02; Pentaerythritol tetranitrate with 80% d-lactose monohydrate; 2,2-Bis((nitrooxy)methyl)-1,3-propanediol dinitrate (ester); DSSTox_CID_1109; Pentaerythrite tetranitrate (dry) [Forbidden]; DSSTox_RID_77024; DSSTox_GSID_23430; 2,2-bis((nitrooxy)methyl)-1,3-propanediol dinitrate; 3-(nitrooxy)-2,2-bis[(nitrooxy)methyl]propyl nitrate; 2,2-bis((nitrooxy)methyl)-1,3-propanediol dinitrate ester; Pentaerythrite tetranitrate, with not < 7% water, by mass; 1,3-Propanediol, 2,2-bis((nitrooxy)methyl)-, 1,3-dinitrate; 2,2-Bis[(nitrooxy)methyl]-1,3-propanediol dinitrate (ester); Pentaerithrityl tetranitrate (INN); Pentaerithrityl tetranitrate [INN]; CAS-78-11-5; Pentaerythrite tetranitrate, wetted with not < 25% water, by mass or desensitized with not < 15% phlegmatizer, by mass; TEN [Vasodilator]; Myotrate \"10\"; Pentaeritrile tetranitrato; Pentafilin; Pentrinat; 1,3-Propanediol, 2,2-bis[(nitrooxy)methyl]-, 1,3-dinitrate; C5H8N4O12; delt rate-20; [3-nitrooxy-2,2-bis(nitrooxymethyl)propyl] nitrate; Vaso-80 Unicelles; Miltrate (Salt/Mix); Pentaerythritol tetranitrate [BAN:JAN]; Pentaerythritol tetranitrate [USP:JAN]; Pentritol tempules (TN); Pentaerithritol tetranitrate; EC 201-084-3; SCHEMBL37177; 4-01-00-02816 (Beilstein Handbook Reference); Ex187; SDM No. 23 (Salt/Mix); SDM No. 35 (Salt/Mix); CHEMBL466659; P.E.T.N.; DTXSID2023430; Pentaerythrite tetranitrate (dry); LS-70; Pentaerythritol tetranitrate (JAN); ZINC8101167; Tox21_111624; Tox21_301747; c0051; DB06154; NCGC00159388-03; NCGC00159388-04; NCGC00159388-05; NCGC00255290-01; Nitropenta 10 microg/mL in Acetonitrile; D01721; C-46272; Q189334; 1,3-Propanediol, 2,2-bis[(nitrooxy)methyl]-, dinitrate; 1,3-Propanediol, 2,2-bis[(nitrooxy)methyl]-, dinitrate (ester); Pentaerythrite tetranitrate or pentaerythritol tetranitrate or PETN, wetted with not <25% water, by mass or pentaerythrite tetranitrate or pentaerythritol tetranitrate or PETN, desensitized with not <15% phlegmatizer by mass; Pentaerythrite tetranitrate or pentaerythritol tetranitrate or PETN, wetted with not <25% water, by mass or pentaerythrite tetranitrate or pentaerythritol tetranitrate or PETN, desensitized with not <15% phlegmatizer by mass [NA0150] [Explosive 1.1A]; Pentaerythrite tetranitrate or pentaerythritol tetranitrate or PETN, wetted with not <25% water, by mass or pentaerythrite tetranitrate or pentaerythritol tetranitrate or PETN, desensitized with not <15% phlegmatizer by mass [NA0150] [Explosive 1.1A]; Pentaerythrite tetranitrate or pentaerythritol tetranitrate or PETN, with not <7% wax by mass; Pentaerythrite tetranitrate or pentaerythritol tetranitrate or PETN, with not <7% wax by mass [UN0411] [Explosive 1.1D]; Pentaerythrite tetranitrate or pentaerythritol tetranitrate or PETN, with not <7% wax by mass [UN0411] [Explosive 1.1D]; Pentaerythritol tetranitrate solution, 10 mg/mL in acetonitrile, ampule of 5 mL, certified reference material; Pentaerythritol tetranitrate solution, 1000 mug/mL in acetonitrile, ampule of 1 mL, certified reference material",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C5H8N4O12",
"molecular_weight": "316.14",
"state": "solid",
"clearance": "In a pharmacokinetic study of rats after intra-arterial administration of this drug, the clearance was measured to be 0.61 +/- 0.16 L/min/kg [A32646].",
"volume_of_distribution": "The steady-state volume of distribution was 4.2 +/- 1.1 L/kg (n = 6) in rats given this drug by the intra-arterial route [A32646].",
"route_of_elimination": "Mainly the urine [L2413].",
"protein_binding": "",
"half_life": "The elimination half-life in plasma from male volunteers given an oral 100-mg dose of the tetranitrate was reported to be 4-5 hours [L2395].",
"absorption": "",
"cid": "6518",
"classification": "C",
"indications": "",
"side_effects": "",
"atc_codes": "C01DA05; C01DA55",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0382",
"name": "Phosphoaminophosphonic Acid-Adenylate Ester",
"synonyms": "phosphoaminophosphonic acid-adenylate ester; DB04395; Q27095192; 9-{5-O-[(R)-Hydroxy{[(R)- Hydroxy(Phosphonoamino)phosphoryl]oxy}phosphoryl]-Alpha-L-Arabinofuranosyl}-9h-Purin-6-Amine; 9-{5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-alpha-L-arabinofuranosyl}-9H-purin-6-amine; A0P",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C10H17N6O12P3",
"molecular_weight": "506.2",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "44462678",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0383",
"name": "Phosphorus P-32",
"synonyms": "PHOSPHORUS-32; Phosphorus, isotope of mass 32; Phosphorus P-32; 14596-37-3; Phosphorous-32; Phosphorus p32; Phosphorous, isotope of mass 32; Phosphorus P 32; phosphorus-32 atom; (~32~P)Phosphane; CHEBI:37972; DTXSID80932734; XYFCBTPGUUZFHI-OUBTZVSYSA-N; UNII-690284A407; (32)P; C19162; (32)15P; Q2174657; 690284A407",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "H3P",
"molecular_weight": "34.998",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "26751",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0384",
"name": "Pixantrone",
"synonyms": "Pixantrone; 144510-96-3; 6,9-bis(2-aminoethylamino)benzo[g]isoquinoline-5,10-dione; Pixuvri; UNII-F5SXN2KNMR; Pixantrone dimaleate; F5SXN2KNMR; Pixuvri (TN); BBR 2778; 144675-97-8; 6,9-Bis((2-aminoethyl)amino)benzo(g)isoquinoline-5,10-dione; 6,9-bis((2-aminoethyl)amino)benzo[g]isoquinoline-5,10-dione; 6,9-Aea-biqdo; 6,9-bis[(2-aminoethyl)amino]benzo[g]isoquinoline-5,10-dione; Pixantrone [USAN:INN:BAN]; Pixantrone (USAN/INN); SCHEMBL7825; Pixantrone (BBR 2778); CHEMBL167731; GTPL7544; DTXSID10162744; CHEBI:135945; PEZPMAYDXJQYRV-UHFFFAOYSA-N; 5,8-Bis((2-aminoethyl)amino)-2-aza-anthracene-9,10-dione; 6,9-Bis((2-aminoethyl)amino)benz(g)isoquinoline-5,10-dione; BCP05981; ZINC1535903; AKOS005145782; AM84406; API0005281; CS-2913; DB06193; SB16817; NCGC00274280-01; AC-26441; HY-13727; FT-0673961; FT-0689753; D05522; 510P963; A808224; Q7199690; 6,9-bis(2-azanylethylamino)benzo[g]isoquinoline-5,10-dione; 6,9-bis[(2-aminoethyl)amino]-benz[g]isoquinoline-5,10-dione; Benz(g)isoquinoline-5,10-dione, 6,9-bis((2-aminoethyl)amino)-",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C17H19N5O2",
"molecular_weight": "325.4",
"state": "solid",
"clearance": "Plasma clearance is 0.75 - 1.31 L/h/kg. [2]",
"volume_of_distribution": "9.7-29.7 L/kg. [2]",
"route_of_elimination": "Fecally and renally excreted. Urinary elimination of unchanged drug is less than 10%. [2]",
"protein_binding": "Anthracyclines, which may be effective second line treatments for NHL have limited use in therapy because of cumulative cardiotoxicity which may result in irreversible damage to cardiac tissue. [2]",
"half_life": "Half life is 12 hours. [2]",
"absorption": "Intravenous administration results in a rapid distribution followed by a slow elimination. [2] In ex vivo myocardial strips, pixantrone is taken up to a higher degree than mitoxantrone. In myocardial strips which are doxorubicin naive pixantrone displays higher uptake than in DOX-loaded myocardial strips. DOX clearance causes membrane effects which may be responsible for this observation. DOX clearance involves rapid passive diffusion through one side of the membrane followed by \"flip flop\" reorientation of the lipid bilayer. This disorganization of lipids is believed to impair membrane penetration by pixantrone. [3]",
"cid": "134019",
"classification": "L",
"indications": "B-cell lymphoma",
"side_effects": "",
"atc_codes": "L01DB11",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0385",
"name": "Poloxamer 188",
"synonyms": "Poloxamer 188; Poloxalene; POLOXAMER; Pluronic; Poloxalkol; Pluronic L 61; Pluronic L-81; 9003-11-6; Detalan; Pluracare; Therabloat; Tergitol XH; Lutrol F; Adeka Pluronic F 108; Epan 485; Epan 710; Epan 785; Cirrasol ALN-WS; Pluronic L44; Polyoxamer 108; Poloxamer-188; Pluronic F 38; Pluronic F108; Pluronic F127; Tergitol nonionic XH; Antarox 17R4; Antarox 25R2; Antarox B 25; Antarox F 68; Antarox F 88; Antarox F 88FL; Antarox L 72; Antarox P 84; 106392-12-5; Daltocel F 460; Slovanik M-640; Antarox F 108; Antarox P 104; Antarox SC 138; Emulgen PP 230; Adeka 25R1; Adeka 25R2; Adeka L 61; Dehypon KE 3557; Empilan P 7068; Proxanol; Arcol E 351; D 500 (polyglycol); Polyethylene-polypropylene glycol; Arco Polyol R 2633; Epan 450; Crisvon Assistor SD 14; Pluronic L; Breox BL 19-10; Epan U 108; Proxanol Tsl-3; Pluronic F77; Pluronic F87; Pluronic F88; Pluronic L62; Pluronic L64; Pluronic P65; Pluronic P84; Pluronic P85; Meroxapol 105; Poloxamer 101; Crl 1005; Pluronic P103; Pluronic P104; Pluronic P105; BASF-L 101; Pluronic L 122; Polyethylene glycol, propoxylated; Ethylene oxide-propylene oxide block polymer; Glycols, polyethylene-polypropylene; BSP 5000; CRL 1605; CRL 8131; CRL 8142; Oxirane, methyl-, polymer with oxirane, block; RC 102; Oxirane, methyl-, polymer with oxirane; Methyloxirane polymer with oxirane block; SK&F 18,667; F 77; F 87; F 88; P 84; P 85; B 053; F 108; F 127; P 103; P 104; P 105; P 123; PEG/PPG-125/30 Copolymer; HSDB 7222; NSC 63908; Polyethylene oxide-polypropylene oxide; Vepoloxamer (USAN); Vepoloxamer [USAN]; Polyoxyethylene-oxy-propylene [French]; Poly(ethylene oxide-co-propylene oxide); Polyoxyethylene - polyoxypropylene copolymer; F-108; Ethylene oxide-propylene oxide block copolymer dipropylene glycol ether; Ethylene oxide-propylene oxide block copolymer ether with ethylene glycol; Polyoxyethylene - polyoxypropylene block copolymer; alpha-Hydro-omega-hydroxypoly(oxyethylene)(sub a)-poly(oxopropylene)(sub b)-poly(oxyethylene)(sub a) block copolymer; alpha-Hydro-omega-hydroxypoly(oxyethylene)a-poly(oxopropylene)b-poly(oxyethylene)a block copolymer; 75-H-1400; C10H22O3; 2-methyloxirane; oxirane; Poloxamer [USAN:INN:BAN]; Pluracol V; Pluriol PE; component of Casakol; Pluronic L122; Lutrol F (TN); oxirane-propylene oxide; Pluriol PE 6810; PEG-PPG-PEG; ETS9O8IMRZ; UNII-ETS9O8IMRZ; Eban 710; Epan 750; Epon 420; UNII-E3JZI5G4RX; UNII-KDW7VYE2Z8; UNII-QDJ29LOA3J; UNII-UMG50ZW8UY; E3JZI5G4RX; KDW7VYE2Z8; QDJ29LOA3J; UMG50ZW8UY; UNII-5K7JD3ELD7; UNII-66UUC8WX0D; UNII-JO9JD7WJ20; UNII-M1X5Y5T2QD; UNII-NZ1V84NDF9; UNII-PH86TYV5Y9; 5K7JD3ELD7; 66UUC8WX0D; JO9JD7WJ20; M1X5Y5T2QD; Niax 16-46; NZ1V84NDF9; PH86TYV5Y9; UNII-199SZS8E2Q; UNII-58SFJ9RW21; UNII-CU4K26HG21; UNII-J2R38TWT27; UNII-JP0CK963E0; UNII-P5QZM4T259; SCHEMBL11737; ethylene oxide propylene oxide; Oxirane, polymer with oxirane; UNII-1AZW43116L; UNII-3O0G38UT27; UNII-52901V8XAR; UNII-64CHX343Y8; Propylene Oxide Ethylene Oxide; TsL 431; ADEKA PLURONIC F-108; 199SZS8E2Q; 58SFJ9RW21; CU4K26HG21; J2R38TWT27; JP0CK963E0; P5QZM4T259; UNII-68T8I45V23; CHEBI:32026; MST-188; TVM 370; RVGRUAULSDPKGF-UHFFFAOYSA-N; 1AZW43116L; 3O0G38UT27; 52901V8XAR; 64CHX343Y8; Poloxalene [USAN:USP:INN:BAN]; NSC63908; NSC-63908; WS 661; AKOS015912614; Oxirane, 2-methyl-, polymer with oxirane, ether with 1,2-propanediol (2:1); Oxirane, methyl-, polymer with oxirane, ether with 1,2-propanediol (2:1); 68T8I45V23; EXC0000002; SK&F-18667; LS-72949; SK & F 18,667; AB1009263; LS-101081; N 480; D01941; D10680; M 90/20; 75H90000; .alpha.-Hydro-.omega.-hydroxypoly(oxyethylene)poly(oxypropylene)poly(oxyethylene) block copolymer; Poloxamer 407; Micronized; Poly(ethylene glycol)-block-poly(propylene glycol)-block-poly(ethyleneglycol); L|Itrol? micro 127",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C5H10O2",
"molecular_weight": "102.13",
"state": "solid",
"clearance": "Following a 48-hour continuous intravenous infusion of purified P188 in healthy volunteers, the mean total body clearance was estimated to be 4.40 ± 0.77 L/h when using the plasma concentration data only [A33126]. Estimated mean renal clearance from the amount of P-188 excreted in urine was 5.21 ± 1.28 L/h [A33126]. The clearance of a single metabolite HW1 was slower than the parent compound [A33126].",
"volume_of_distribution": "The volume of distribution at steady state (Vss) after a continuous intravenous infusion of 500 mg/kg of P188 on day 7 was approximately 2.13 mL/kg in pregnant female rats [A33126]. Vss was 876 mL/kg in dogs receiving a dose of 720 mg/kg/day [A33126].",
"route_of_elimination": "Renal clearance accounted for 90% of total plasma clearance in healthy male subjects [A33126].",
"protein_binding": "The exact protein binding profile of P188 has not been determined due to the apparent formation of micelles that caused excessive non-specific binding to ultrafiltration and dialysis membranes [A33126]. Based on the findings of a protein binding interaction studies, P188 displayed no clinically significant human plasma binding characteristics [A33126].",
"half_life": "In humans, P188 has half-life of 18 hours [A27217]. The terminal plasma elimination half-life was approximately 7.65 ± 1.10 hours in healthy volunteers receiving a 48-hour continuous intravenous infusion of purified P188 [A33126].",
"absorption": "Following a 48-hour continuous intravenous infusion of purified P188 in healthy volunteers, the mean concentration of P188 at steady state concentration (Css) was 522 ± 118 mg/L and the maximum concentration occurring at the end of the loading dose was approximately 909 ± 165 mg/L [A33126]. The plasma concentrations were dose-proportional [A33126].",
"cid": "24751",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0387",
"name": "Primaquine",
"synonyms": "PRIMAQUINE; 90-34-6; 8-(4-Amino-1-methylbutylamino)-6-methoxyquinoline; Neo-Quipenyl; Primachin; Primaquin; Primachinum; Primaquinum; Primaquina; Primachina [DCIT]; Primaquine [INN:BAN]; Primaquinum [INN-Latin]; Primaquina [INN-Spanish]; SN 13,272; S. N. 13272; WR 2975; 6-Methoxy-8-(4-amino-1-methylbutylamino)quinoline; (RS)-primaquine; 1,4-Pentanediamine, N4-(6-methoxy-8-quinolinyl)-; NSC 27296; CCRIS 4109; CHEBI:8405; N-(5-aminopentan-2-yl)-6-methoxyquinolin-8-amine; HSDB 6516; EINECS 201-987-2; N4-(6-Methoxy-8-quinolinyl)-1,4-pentanediamine; 8-((4-Amino-1-methylbutyl)amino)-6-methoxyquinoline; Quinoline, 8-(4-amino-1-methylbutylamino)-6-methoxy; INDBQLZJXZLFIT-UHFFFAOYSA-N; NSC27296; 1,4-Pentanediamine, N(4)-(6-methoxy-8-quinolinyl)-; 8-[(4-Amino-1-methylbutyl)amino]-6-methoxyquinoline; Primachina; dl-Primaquine; BRN 0019337; N4-(6-methoxy-8-quinolyl)pentane-1,4-diamine; 6-Methoxy-8-[(4-amino-1-methylbutyl)amino]quinoline; Quinoline, 8-(4-amino-1-methylbutylamino)-6-methoxy-; N~4~-[6-(methyloxy)quinolin-8-yl]pentane-1,4-diamine; (+/-)-Primaquine; CHEMBL506; MLS001334045; (+)-Primaquine; (-)-Primaquine; Kanaprim (TN); Primaquine (INN); 4-22-00-05817 (Beilstein Handbook Reference); NCGC00178754-06; N~4~-(6-methoxyquinolin-8-yl)pentane-1,4-diamine; SMR000875314; 6-Methoxy-8-((4-amino-1-methylbutyl)amino)quinoline; 4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine; Quinoline, 8-((4-amino-1-methylbutyl)amino)-6-methoxy-; Quinoline, 8-[(4-amino-1-methylbutyl)amino]-6-methoxy-; TG1-296; TG1-297; Spectrum_000830; 66616-84-0; Prestwick0_000476; Prestwick1_000476; Prestwick2_000476; Prestwick3_000476; Spectrum2_000887; Spectrum3_000552; Spectrum4_000484; Spectrum5_001363; Epitope ID:131792; Oprea1_546209; SCHEMBL22207; BSPBio_000612; BSPBio_002223; KBioGR_000967; KBioSS_001310; DivK1c_000806; N(4)-(6-methoxyquinolin-8-yl)pentane-1,4-diamine; SPBio_000674; SPBio_002551; (+)-N4-(6-Methoxy-8-quinolinyl)-1,4-pentanediamine; (-)-N4-(6-Methoxy-8-quinolinyl)-1,4-pentanediamine; BPBio1_000674; cid_359247; GTPL9952; DTXSID8023509; BDBM71542; CTK8B5781; KBio1_000806; KBio2_001310; KBio2_003878; KBio2_006446; KBio3_001723; NINDS_000806; HMS2090J17; ANW-50074; BBL011330; NSC-27296; STL146416; 1, N4-(6-methoxy-8-quinolinyl)-; AKOS005721199; API0009074; DB01087; MCULE-1557087031; WLN: T66 BNJ HO1 JMY1&3Z; IDI1_000806; SMP1_000263; NCGC00178754-01; NCGC00178754-02; NCGC00178754-03; AC-23007; AK-51335; AS-30679; BR-51335; NCI60_001035; NCI60_005887; SC-46746; SBI-0051491.P003; AX8110977; LS-141312; TR-028405; TX-012465; 4CH-006983; AB00053529; FT-0687514; ST24029985; W9302; C07627; D08420; EN300-144245; S-4508; AB00053529-11; AB00053529_12; AB00053529_14; N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine; 598P906; A843518; N4-(6-methoxy-8-quinolinyl)pentane-1,4-diamine; N4-(6-methoxyquinolin-8-yl)pentane-1,4-diamine; Q419834; BRD-A55913614-316-06-2; 1,4-Pentanediamine, N4-(6-methoxy-8-quinolinyl)- (9CI); 4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine;phosphoric acid; N4-(6-methoxy-8-quinolinyl)pentane-1,4-diamine;phosphoric acid; N4-(6-methoxyquinolin-8-yl)pentane-1,4-diamine;phosphoric acid; (4-amino-1-methyl-butyl)-(6-methoxy-8-quinolyl)amine;phosphoric acid",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C15H21N3O",
"molecular_weight": "259.35",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "3.7-7.4 hours",
"absorption": "",
"cid": "4908",
"classification": "P",
"indications": "Plasmodium vivax infection",
"side_effects": "",
"atc_codes": "P01BA03",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T002",
"T004",
"T005",
"T019"
],
"function": [
"F0105",
"F020103"
],
"references": [
"RC00177",
"RC00178",
"RC00179",
"RC00180",
"RC00181",
"RC00949"
]
},
{
"compound_ID": "D0388",
"name": "PRLX 93936",
"synonyms": "PRLX93936 Rastin analogue; 3-(2-ethoxyphenyl)-2-(1-piperazinylmethyl)-4(3H)-quinazolinone",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C21H24N4O2",
"molecular_weight": "364.4",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "11559627",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0389",
"name": "Protamine sulfate",
"synonyms": "X",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "X",
"molecular_weight": "X",
"state": "solid",
"clearance": "In a study group of twenty-six patients aged between 26 to 80 years and undergoing a cardiac operation with cardiopulmonary bypass, the clearance of protamine sulfate administered was recorded as being 1.4 L/min (with a range of 0.61 to 3.8 L/min) [A174952].",
"volume_of_distribution": "In a study group of twenty-six patients aged between 26 to 80 years and undergoing a cardiac operation with cardiopulmonary bypass, the volume of distribution of protamine sulfate administered was recorded as being 5.4L (with a range of 0.82 to 34L) [A174952].",
"route_of_elimination": "Data from limited studies regarding the elimination of protamine sulfate from the human body have determined that protamine excretion is predominantly renal [A174982].",
"protein_binding": "Data regarding the protein binding of protamine sulfate is not readily available or accessible.",
"half_life": "The half-life of protamine sulfate in healthy individual volunteers without heparin in the body was determined to be about a median 7.4 minutes (from a range of 5.9-9.3 minutes) [A174952]. For surgical patients undergoing a cardiac operation with cardiopulmonary bypass with the use/presence of heparin in the body, the half-life recorded was a median 4.5 minutes (from a range of 1.9-18 minutes) [A174952].",
"absorption": "In general, based on data obtained from protamine sulfate administered in healthy humans the AUC demonstrated during the initial infusion is concave [F3562]. Protamine concentrations were less than the limit of detection after twenty minutes or less, although the onset of action had been reported to appear within thirty to sixty seconds after intravenous administration [F3559, F3562, L5371, L5443] It is, however, generally documented that the neutralization of heparin occurs within five minutes after the intravenous administration of protamine sulfate [F3559, L5371, L5443].\n\nMoreover, protamine concentration-versus-time data appears to be substantially different between men and women, where weight-adjusted protamine sulfate dosing ended up in significantly decreased AUC and substantially greater plasma clearance and volume of distribution at steady state in women as compared to men [F3562].",
"cid": "X",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0390",
"name": "PX-12",
"synonyms": "PX-12; 141400-58-0; 2-(sec-butyldisulfanyl)-1h-imidazole; PX 12; 2-[(1-methylpropyl)dithio]-1H-imidazole; 2-((1-Methylpropyl)dithio)-1H-imidazole; CHEMBL406050; IV-2; 1-Methylpropyl 2-imidazolyl disulfide; Iv 2 Compound; AK143053; 1H-Imidazole,2-[(1-methylpropyl)dithio]-; 1H-Imidazole, 2-((1-methylpropyl)dithio)-; 1H-Imidazole, 2-[(1-methylpropyl)dithio]-; IV-2 compound; 2-(butan-2-yldisulfanyl)-1H-imidazole; 1-Methylpropyl-2-imidazolyl disulfide; ACMC-20ckye; SCHEMBL775481; PX12; C7H12N2S2; CHEBI:94291; CTK4C2614; IV-2;PX12; KS-00000RXW; DTXSID50875689; NOCAS_875689; HMS3747E17; BCP08978; EX-A2436; 3122AH; BDBM50426071; EBD149897; s7947; AKOS022175532; CS-3052; DB05448; FCH1137657; NCGC00346876-01; PX 12, >=98% (HPLC), powder; AS-55822; HY-13734; S-BUTYL (2-IMIDAZOLYL) DISULFIDE; AB0081834; AX8282606; RT-015159; J-007491; BRD-A56592690-001-01-9; Q27095678",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C7H12N2S2",
"molecular_weight": "188.3",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "the optimum PD dose was identified as 96 mg/m2 as a 3-hr infusion",
"cid": "219104",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0391",
"name": "Pyrazinamide",
"synonyms": "pyrazinamide; pyrazinecarboxamide; 98-96-4; pyrazine-2-carboxamide; pyrazinoic acid amide; Zinamide; 2-Pyrazinecarboxamide; Aldinamide; Aldinamid; Pirazinamid; Pyrazineamide; Pyrafat; Tebrazid; Unipyranamide; Farmizina; Pirazimida; pyrazine carboxylamide; Eprazin; Novamid; 2-Carbamylpyrazine; Pyrazinecarboxylic acid amide; Pyrazinamidum; Pirazinamida; Tisamid; Isopas; Pirazinamide; Pyrazine carboxamide; Pezetamid; Piraldina; Pirazinamide [DCIT]; MK 56; PZA; D-50; Pyrazinamidum [INN-Latin]; NCI-C01785; Pirazinamida [INN-Spanish]; C5H5N3O; D-50 (VAN); UNII-2KNI5N06TI; DRG 0124; NSC 14911; CCRIS 545; HSDB 3576; T 165; EINECS 202-717-6; BRN 0112306; 2KNI5N06TI; MLS000069730; CHEBI:45285; IPEHBUMCGVEMRF-UHFFFAOYSA-N; NSC14911; Pyrazinamide (Pyrazinoic acid amide); Pyrazinamide, 99%; NCGC00015833-09; Braccopiral; Corsazinmid; Pyrazinamdie; Dipimide; Lynamide; Prazina; Pyramide; Pyrazide; SMR000036662; Tebrazio; Zinastat; Rozide; DSSTox_CID_1215; DSSTox_RID_76014; DSSTox_GSID_21215; Pharozinamide; Rifafour; P ezetamid; CAS-98-96-4; Pyrazinamide (TN); 2-carbamyl pyrazine; Pyrazinamide [INN:BAN:JAN]; Rifafour e-200; Pyrazinoic acid am ide; SR-01000076077; pyrazinamida; Pyrazinamid; Pyrizinamide; pyrazine amide; AZT + Pyrazinamide combination; Pyrazine-2-carboxylic acid amide; Pyrazinamide,(S); Pyrazinamide [USP:INN:BAN:JAN]; Prestwick_811; ACMC-20aive; 2-pyrazine carboxamide; Spectrum_000902; Opera_ID_735; Prestwick0_000514; Prestwick1_000514; Prestwick2_000514; Prestwick3_000514; Spectrum2_001305; Spectrum3_001046; Spectrum4_001186; Spectrum5_001026; Lopac-P-7136; CHEMBL614; P 7136; WLN: T6N DNJ BVZ; pyrazine-2-carboximidic acid; Lopac0_001011; SCHEMBL24102; BSPBio_000467; BSPBio_002572; KBioGR_001851; KBioSS_001382; 5-25-04-00178 (Beilstein Handbook Reference); KSC449E8F; MLS002222347; BIDD:GT0228; DivK1c_000241; SPECTRUM1500518; SPBio_001369; SPBio_002388; BPBio1_000515; EBD430; GTPL7287; ZINC2005; DTXSID9021215; 2-pyrazinecarboxylic acid amide;; HMS500M03; KBio1_000241; KBio2_001382; KBio2_003950; KBio2_006518; KBio3_001792; Pyrazinamide (JP17/USP/INN); NINDS_000241; BDBM228814; HMS1569H09; HMS1920N08; HMS2092E09; HMS2096H09; HMS2235G17; HMS3259O04; HMS3263K03; HMS3371G09; HMS3655A10; HMS3713H09; KUC109577N; Pharmakon1600-01500518; Pyrazinamide(Pyrazinoic-acid-amide); ACT01761; BCP30257; HY-B0271; KS-00000B7D; KSC-27-052E; Tox21_110237; Tox21_202059; Tox21_302771; Tox21_501011; ANW-75384; BBL010592; CCG-39243; MFCD00006132; NSC-14911; NSC757304; s1762; SBB004276; STK801661; AKOS000120280; Tox21_110237_1; CS-2260; DB00339; LP01011; LS-2053; MCULE-6846697749; NC00534; NSC-757304; Pyrazinecarboxamide, analytical standard; IDI1_000241; NCGC00015833-01; NCGC00015833-02; NCGC00015833-03; NCGC00015833-04; NCGC00015833-05; NCGC00015833-06; NCGC00015833-07; NCGC00015833-08; NCGC00015833-10; NCGC00015833-11; NCGC00015833-12; NCGC00015833-15; NCGC00015833-16; NCGC00090695-01; NCGC00090695-03; NCGC00090695-04; NCGC00090695-05; NCGC00090695-06; NCGC00090695-07; NCGC00256336-01; NCGC00259608-01; NCGC00261696-01; Pyrazinoic acid amide; pyrazinamide; PZA; AK-94813; CAS- 98-96-4; CPD000036662; SAM002554927; SC-46323; SY013550; TS-01626; SBI-0050984.P004; AB0008224; AB2000278; DB-002866; ST2413707; TR-030381; AB00052083; B2122; BB 0253141; EU-0101011; FT-0659757; P0633; ST45022155; SW196945-3; C01956; D00144; J10111; M-7421; AB00052083-16; AB00052083_17; AB00052083_18; MFCD00006132 (97+%); AC-907/25014068; Q417571; SR-01000076077-1; SR-01000076077-4; SR-01000076077-6; W-100059; Z33546644; Pyrazinamide, British Pharmacopoeia (BP) Reference Standard; Pyrazinamide, European Pharmacopoeia (EP) Reference Standard; 2-Carbamylpyrazine ;Aldinamid ;Aldinamide; Pyrazinoic acid amide; Pezetamid;Pyrafat;Zinamide;Tebrazid;Pyrafat;Pyrazinoic acid amide; Pyrazinamide, United States Pharmacopeia (USP) Reference Standard; InChI=1/C5H5N3O/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9; Pyrazinamide, Pharmaceutical Secondary Standard; Certified Reference Material",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C5H5N3O",
"molecular_weight": "123.11",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "Approximately 70% of an oral dose is excreted in the urine, mainly by glomerular filtration within 24 hours",
"protein_binding": "~10% (bound to plasma proteins)",
"half_life": "9-10 hours (normal conditions)",
"absorption": "Rapidly and well absorbed from the gastrointestinal tract.",
"cid": "1046",
"classification": "J",
"indications": "Jaundice",
"side_effects": "",
"atc_codes": "J04AM05; J04AK01; J04AM06",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T002",
"T408"
],
"function": [
"F0108",
"F0201",
"F0303"
],
"references": [
"RC04112",
"RC04236",
"RC04360",
"RC04484",
"RC04608"
]
},
{
"compound_ID": "D0392",
"name": "Pyrvinium",
"synonyms": "PYRVINIUM; Pyrvinum; 7187-62-4; pyrvinium (cation); HSDB 3178; UNII-6B9991FLU3; CHEBI:8687; 6B9991FLU3; 6-(Dimethylamino)-2-(2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)ethenyl)-1-methylquinolinium; 548-84-5; Quinolinium, 6-(dimethylamino)-2-(2-(2,5-dimethyl-1-phenylpyrrol-3-yl)vinyl)-1-methyl-; Quinolinium, 6-(dimethylamino)-2-(2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)ethenyl)-1-methyl-; CHEMBL1201303; DTXSID2043795; ZINC3831401; DB06816; LS-186736; LS-187762; C07412; AB00053809_02; Q264039; 2-[(E)-2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)vinyl]-N,N,1-trimethyl-quinolin-1-ium-6-amine; 6-(dimethylamino)-2-[(E)-2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)ethenyl]-1-methylquinolinium",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C26H28N3+",
"molecular_weight": "382.5",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "Pyrvinium is not significantly absorbed from the gastrointestinal tract [L789].",
"cid": "5281035",
"classification": "P",
"indications": "",
"side_effects": "",
"atc_codes": "P02CX01",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0393",
"name": "QR-333",
"synonyms": "X",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "X",
"molecular_weight": "X",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "X",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0394",
"name": "Quinacrine",
"synonyms": "quinacrine; mepacrine; atabrine; 83-89-6; acrichine; Acrinamine; Acriquine; Erion; Antimalarina; Haffkinine; Quinactine; Akrichin; Italchine; Mepacrinum; Quinacrine, Mepacrine; Quinacrine hydrochloride; Mepacrine [INN:BAN]; Mepacrinum [INN-Latin]; St 439; Mepacrina [INN-Spanish]; Malaricida; Methoquine; Italchin; Metochin; Palacrin; Palusan; Pentilen; Mecryl; 3-Chloro-7-methoxy-9-(1-methyl-4-diethylaminobutylamino)acridine; 2-Methoxy-6-chloro-9-diethylaminopentylaminoacridine; HSDB 3253; 6-Chloro-9-((4-(diethylamino)-1-methylbutyl)amino)-2-methoxyacridine; 1,4-Pentanediamine, N4-(6-chloro-2-methoxy-9-acridinyl)-N1,N1-diethyl-; EINECS 201-508-7; CHEMBL7568; Mepacrine hydrochloride; AI3-04467; CHEBI:8711; GNF-PF-5448; GPKJTRJOBQGKQK-UHFFFAOYSA-N; chinacrin; N4-(6-Chloro-2-methoxy-9-acridinyl)-N1,N1-diethyl-1,4-pentanediamine; Mepacrina; Quinacrin; Acridine, 6-chloro-9-((4-(diethylamino)-1-methylbutyl)amino)-2-methoxy-; N(4)-(6-chloro-2-methoxy-9-acridinyl)-N(1),N(1)-diethyl-1,4-pentanediamine; N~4~-(6-chloro-2-methoxyacridin-9-yl)-N~1~,N~1~-diethylpentane-1,4-diamine; Acirchine; 6-chloro-N-(5-(diethylamino)pentan-2-yl)-2-methoxyacridin-9-amine; CCRIS 8633; 6-CHLORO-N-[5-(DIETHYLAMINO)PENTAN-2-YL]-2-METHOXYACRIDIN-9-AMINE; Acridine, 6-chloro-9-[[4-(diethylamino)-1-methylbutyl]amino]-2-methoxy-; Mepacrine (INN); Atebrin (Salt/Mix); Atebrine (Salt/Mix); Spectrum_000929; 316-05-2; Prestwick0_000318; Prestwick1_000318; Prestwick2_000318; Prestwick3_000318; Spectrum2_000888; Spectrum3_000606; Spectrum4_000496; Spectrum5_001405; (.+/-.)-Quinacrine; Lopac0_000970; SCHEMBL19225; BSPBio_000316; BSPBio_002112; KBioGR_001011; KBioGR_002507; KBioSS_001409; KBioSS_002515; DivK1c_000101; SPBio_000676; SPBio_002535; BPBio1_000348; DTXSID7022627; CTK6E8154; GTPL10172; KBio1_000101; KBio2_001409; KBio2_002507; KBio2_003977; KBio2_005075; KBio2_006545; KBio2_007643; KBio3_001612; KBio3_002985; cMAP_000067; NINDS_000101; HMS2090L03; KS-00002WX3; BBL028456; BDBM50015214; RP-866 (Dihydrochloride dihydrate); SN-390 (Dihydrochloride dihydrate); STL061087; 4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine; AKOS000541535; AKOS016340229; CCG-205050; DB01103; MCULE-3049117865; MS-1557; IDI1_000101; N*4*-(6-Chloro-2-methoxy-acridin-9-yl)-N*1*,N*1*-diethyl-pentane-1,4-diamine; NCGC00015874-02; NCGC00015874-03; NCGC00015874-04; NCGC00015874-08; NCGC00162300-01; LS-14293; NCI60_000926; SBI-0050943.P004; AB00053540; C07339; D08179; AB00053540-08; AB00053540-09; AB00053540_10; Q417208; BRD-A45889380-300-04-8; BRD-A45889380-336-03-4; Z31251611; 2-Methoxy-6-chloro-9-diethylaminopent-2-ylaminoacridine; 3-chloro-7-methoxy-9-(1-methyl-4-diethyl aminobutylamino)acridine; 6-chloro-2-methoxy-9-acridinyl(4-diethylamino-1-methylbutyl)amine; N''-(6-chloro-2-methoxy-acridin-9-yl)-N,N-diethyl-pentane-1,4-diamine; N'-(6-chloro-2-methoxyacridin-9-yl)-N,N-diethylpentane-1,4-diamine; N4-(6-chloro-2-methoxy-acridin-9-yl)-N1,N1-diethyl-pentane-1,4-diamine; N4-(6-chloro-2-methoxyacridin-9-yl)-N1,N1-diethylpentane-1,4-diamine; N'-(6-Chloro-2-methoxy-acridin-9-yl)-N,N-diethyl-pentane-1,4-diamine dihydrochloride; N*4*-(6-Chloro-2-methoxy-acridin-9-yl)-N*1*,N*1*-diethyl-pentane-1,4-diamine (Mepacrine); N~4~-[6-chloro-2-(methyloxy)acridin-9-yl]-N~1~,N~1~-diethylpentane-1,4-diamine; N*4*-(6-Chloro-2-methoxy-acridin-9-yl)-N*1*,N*1*-diethyl-pentane-1,4-diamine ; (mepacrine)",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C23H30ClN3O",
"molecular_weight": "400",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "80-90%",
"half_life": "5 to 14 days",
"absorption": "Absorbed rapidly from the gastrointestinal tract following oral administration.",
"cid": "237",
"classification": "P",
"indications": "",
"side_effects": "",
"atc_codes": "P01AX05",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0395",
"name": "Rhein",
"synonyms": "Rhein; 478-43-3; Monorhein; Rheic acid; Rhubarb Yellow; Cassic acid; 4,5-Dihydroxyanthraquinone-2-carboxylic acid; Chrysazin-3-carboxylic acid; Rheinic acid; NSC 38629; 4,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid; 1,8-Dihydroxy-3-carboxyanthraquinone; 1,8-Dihydroxyanthraquinone-3-carboxylic acid; dipropionyl rhein; Rhein(Monorhein); UNII-YM64C2P6UX; 4,5-dihydroxy-9,10-dioxoanthracene-2-carboxylic acid; 2-Anthracenecarboxylic acid, 9,10-dihydro-4,5-dihydroxy-9,10-dioxo-; CCRIS 5129; 9,10-Dihydro-4,5-dihydroxy-9,10-dioxo-2-anthracenecarboxylic acid; C15H8O6; EINECS 207-521-4; Rhein (1,8-dihydroxy-3-carboxyl anthraquinone); BRN 2222155; YM64C2P6UX; MLS000069639; CHEBI:8825; 2-Anthroic acid, 9,10-dihydro-4,5-dihydroxy-9,10-dioxo-; 4,5-Dihydroxy-2-anthraquinonecarboxylic acid; 4,5-DiOH-anthraquinone-2-COOH; FCDLCPWAQCPTKC-UHFFFAOYSA-N; 9,10-Dihydro-4,5-dihydroxy-9,10-dioxoanthracene-2-carboxylic acid; MFCD00009618; SMR000058210; ST057726; 1,8-DIHYDROXY-3-CARBOXYL ANTHRAQUINONE; 9,10-Dihydro-4,5-dihydroxy-9,10-dioxo-2-anthroic acid; Rhein - Monorhein; RHN; Rhein,(S); Rhein; Rhubarb Yellow; Rhein, technical grade; 4ie7; ACMC-209kan; regid855879; DSSTox_CID_6000; Rhein, analytical standard; 1,8-dihydroxy-3-carboxyl-9,10-anthraquinone; DSSTox_RID_77984; DSSTox_GSID_26000; SCHEMBL25253; US9238626, Rhein; 4-10-00-04088 (Beilstein Handbook Reference); cid_10168; MLS006011744; CHEMBL418068; MEGxp0_001866; 4,5-dihydroxy-9,10-dioxo-anthracene-2-carboxylic acid; DTXSID4026000; ACon1_000217; BDBM32021; CTK4J0379; KS-00000NFX; ACT03257; BCP28202; HY-N0105; NSC38629; ZINC4098704; Tox21_201098; ANW-30573; BBL009695; CR-006; CR0016; LMPK13040015; LS-129; NSC-38629; s2400; SBB001152; STL141046; AKOS005259272; AC-7978; ACN-035339; CS-5239; DB13174; MCULE-1248137705; RTR-031414; NCGC00018199-01; NCGC00018199-02; NCGC00018199-03; NCGC00018199-04; NCGC00018199-05; NCGC00018199-06; NCGC00018199-07; NCGC00023342-03; NCGC00023342-04; NCGC00258650-01; AK-88490; AM807834; AS-11635; CAS-478-43-3; SC-25777; SY051290; AB0010467; DB-014981; ST2405253; TR-031414; D3986; FT-0645050; N1810; 4, 5-Dihydroxyanthraquinone-2-carboxylic acid; MFCD00009618 (95%); 2-Anthraquinonecarboxylic acid, 4,5-dihydroxy-; 78R433; C10401; X-4365; 478-43-3,202053-60-9(monosodiumsalt); Q720356; Q-100512; 4,5-dihydroxy-9,10-dioxo-2-anthracenecarboxylic acid; BRD-K27335680-001-01-9; 2-Anthroic acid,10-dihydro-4,5-dihydroxy-9,10-dioxo-; 4,5-dihydroxy-9,10-diketo-anthracene-2-carboxylic acid; 2-Anthracenecarboxylic acid,10-dihydro-4,5-dihydroxy-9,10-dioxo-; 2-Anthroic acid, 9,10-dihydro-4,5-dihydroxy-9,10-dioxo- (8CI); 4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid; 4,5-Dihydroxy-9,10-dioxo-9,10-dihydro-2-anthracenecarboxylic acid #; 9,10-Dihydro-4,5-dihydroxy-9,10-dioxo-2-anthracene carboxylic acid; 9,10-Dihydro-4,5-dihydroxy-9,10-dioxo-2-anthracenecarboxylic acid, 9CI; Monorhein, NSC 38629, Rheic acid, Rheinic acid, Rhubarb yellow, 478-43-3",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C15H8O6",
"molecular_weight": "284.22",
"state": "solid",
"clearance": "Total CL is 1.5 L/h and renal CL is 0.1 L/h [A19300].",
"volume_of_distribution": "15-60L [A19300].",
"route_of_elimination": "37% is excreted in urine and 53% in feces as estimated in rats [A19250].",
"protein_binding": "99% bound to plasma proteins [A19300].",
"half_life": "4-10h [A19300].",
"absorption": "Tmax of 1.6-2.6 hours [A19300].",
"cid": "10168",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [
"T001"
],
"function": [
"F0108",
"F020103"
],
"references": [
"RC01370",
"RC02108",
"RC02729",
"RC03350"
]
},
{
"compound_ID": "D0396",
"name": "Selenic acid",
"synonyms": "SELENIC ACID; 7783-08-6; CHEBI:18170; Selenic acid (H2SeO4); UNII-HV0Y51NC4J; HV0Y51NC4J; HSDB 675; EINECS 231-979-4; UN1905; Acid, Selenic; Selenate, Sodium; Selenate, Calcium; Monosodium Selenate; Selenate, Ammonium; Selenate, Disodium; Selenate, Magnesium; Selenate, Potassium; Selenate, Monosodium; selenic acid, calcium salt; selenic acid, ammonium salt; selenic acid, magnesium salt; selenic acid, potassium salt; hydrogen selenate; SELENic acid ion; dihydroxidodioxidoselenium; H2SeO4; H2SO4e; selenic acid, disodium salt, 75Se-labeled; Selenic Acid aq. Soln.; H2 Se O4; [SeO2(OH)2]; O[Se](O)(=O)=O; CHEMBL2097002; DTXSID2064818; CTK2H8128; 8698AF; BDBM50147596; AKOS025213270; Selenic acid [UN1905] [Corrosive]; DB11068; RTR-024857; Selenic acid [UN1905] [Corrosive]; LS-144791; FT-0695270; C05697; Q413349; Selenic acid solution, 40 wt. % in H2O, 99.95% trace metals basis",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "H2O4Se",
"molecular_weight": "144.98",
"state": "solid",
"clearance": "No pharmacokinetic data available.",
"volume_of_distribution": "No pharmacokinetic data available.",
"route_of_elimination": "",
"protein_binding": "No pharmacokinetic data available.",
"half_life": "Following single oral administration of 1 mg Se/kg of sodium selenate in lambs, the elimination half life was 313 hours. The elimination half life was 142 hours following a single oral dosing of 4 mg Se/kg as sodium selenate [A33009].",
"absorption": "Following single oral administration of sodium selenate concentrations ranging from 1 mg Se/kg to 4 mg Se/kg in lambs, the peak plasma concentrations ranged from 0.79 mg Se/L to 2.54 mg Se/L [A33009]. The time to reach peak plasma concentrations ranged from 7 to 12 hours [A33009].",
"cid": "1089",
"classification": "A",
"indications": "",
"side_effects": "",
"atc_codes": "A12CE01",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0397",
"name": "Silver",
"synonyms": "Silver; 7440-22-4; Argentum; Silver metal; Silver atom; Colloidal silver; Silver, colloidal; Algaedyn; Amalgum; Epinall; Silber; Shell silver; Astroflake 5; Carey Lea silver; Silber [German]; Silver, elemental; Argentum metallicum; Degussa 67; Degussa 80; Silpowder 130; Silflake 135; Jelcon SH 1; KS (metal); L-3 (element); Caswell No. 735; Metz 25B; Dotite XA 208; FA 2 (metal); Germany: C-Pigment 2; D 25 (metal); G 12 (metal); TCG 7r; Lead refinery silver bullion; Silver nanoparticles; Ag; Metz 3000-1; UNII-3M4G523W1G; HSDB 5034; EINECS 231-131-3; FA 312; LA 113; LS 500; SR 999; EPA Pesticide Chemical Code 072501; CI 77820; C.I. 77820; 3M4G523W1G; Silver, metal and soluble compounds; Silver, bullion; argent; plata; SILVER COMPOUNDS; MFCD02091738; Silver Granufoam; Silver and compounds; Silver, brazing alloy, 1.6mm (0.06in) dia; Nanosilver; Theraworx; CCRIS 9464; Silver, 99.9%, foil, 25x25 mm, 1.0 mm thick, 1ea = 6.6gr; Silver, foil, 0.5m coil, thickness 0.025mm, annealed, 99.95+%; Silver, foil, 0.5m coil, thickness 0.035mm, as rolled, 99.95+%; Silver, foil, 1m coil, thickness 0.025mm, annealed, 99.95+%; Silver, foil, 1m coil, thickness 0.035mm, as rolled, 99.95+%; Silver, foil, thickness 0.015 mm, size 25 x 25 mm, purity 99.95+%; Silver, foil, thickness 0.015 mm, size 50 x 50 mm, purity 99.95+%; Silver, foil, thickness 0.030 mm, size 260 x 300 mm, purity 99.95+%; Silver on alumina; silber(II)hydride; AgII; silver (II); Silver, conductive paste; SILVER PROTEIN DAC; Silver, 99.9%; 47Ag; Ag++; Ag2+; EC 231-131-3; 69011-54-7; KSC355K6D; Ag(0); Silver, powder, -100 Mesh; ACMC-1C641; CHEBI:9141; DTXSID4024305; CHEBI:30512; CTK2F5561; HSDB 7056; Silver on alumina, 3%-4% Ag; DTXSID80161148; BQCADISMDOOEFD-UHFFFAOYSA-N; Silver flake, 90% <20 micron; XYDQMRVDDPZFMM-UHFFFAOYSA-N; Silver powder, -120 mesh, Premion; AKOS005259067; DB12965; RTR-037638; Silver, colloidal, 65-75% Ag basis; KS-0000117D; TRA-0205498; LS-145390; TR-037638; FT-0695892; Q1090; Silver, solder alloy, 1.6mm (0.06in) dia; C06710; Palladium Silver foil, 0.5mm (0.02in) thick; Silver, rod, diam. 6.35 mm, >=99.95%; Palladium Silver foil, 0.25mm (0.01in) thick; Silver freezing-point standard, NIST SRM 1746; Silver wire, 0.015mm (0.0006in) dia, hard; Silver plating solution, metal content ~28.7g/l; Silver wire, 0.015mm (0.0006in) dia, annealed; Silver wire, gold plated, 0.025mm (0.001in) dia; Silver, shot, 1-3 mm, 99.999% trace metals basis; S018000000; Silver, flakes, 10 mum, >=99.9% trace metals basis; Silver, foil, 0.2m coil, thickness 0.003mm, 99.9%; Silver, foil, 0.5m coil, thickness 0.003mm, 99.9%; Silver, foil, 10mm disks, thickness 0.003mm, 99.9%; Silver, foil, 10mm disks, thickness 0.02mm, 99.97%; Silver, foil, 15mm disks, thickness 0.003mm, 99.9%; Silver, foil, 15mm disks, thickness 0.02mm, 99.97%; Silver, foil, 1m coil, thickness 0.008mm, 99.95+%; Silver, foil, 1m coil, thickness 0.01mm, 99.95+%; Silver, foil, 25mm disks, thickness 0.003mm, 99.9%; Silver, foil, 25mm disks, thickness 0.02mm, 99.97%; Silver, foil, 4mm disks, thickness 0.003mm, 99.9%; Silver, foil, 4mm disks, thickness 0.004mm, 99.97%; Silver, foil, 4mm disks, thickness 0.005mm, 99.97%; Silver, foil, 4mm disks, thickness 0.006mm, 99.97%; Silver, foil, 4mm disks, thickness 0.007mm, 99.97%; Silver, foil, 4mm disks, thickness 0.008mm, 99.97%; Silver, foil, 4mm disks, thickness 0.009mm, 99.97%; Silver, foil, 4mm disks, thickness 0.015mm, 99.97%; Silver, foil, 4mm disks, thickness 0.01mm, 99.95+%; Silver, foil, 4mm disks, thickness 0.02mm, 99.97%; Silver, foil, 50mm disks, thickness 0.003mm, 99.9%; Silver, foil, 6mm disks, thickness 0.003mm, 99.9%; Silver, foil, 6mm disks, thickness 0.004mm, 99.97%; Silver, foil, 6mm disks, thickness 0.005mm, 99.97%; Silver, foil, 6mm disks, thickness 0.006mm, 99.97%; Silver, foil, 6mm disks, thickness 0.007mm, 99.97%; Silver, foil, 6mm disks, thickness 0.008mm, 99.97%; Silver, foil, 6mm disks, thickness 0.009mm, 99.97%; Silver, foil, 6mm disks, thickness 0.015mm, 99.97%; Silver, foil, 6mm disks, thickness 0.01mm, 99.95+%; Silver, foil, 6mm disks, thickness 0.02mm, 99.97%; Silver, foil, 8mm disks, thickness 0.003mm, 99.9%; Silver, foil, 8mm disks, thickness 0.004mm, 99.97%; Silver, foil, 8mm disks, thickness 0.005mm, 99.97%; Silver, foil, 8mm disks, thickness 0.006mm, 99.97%; Silver, foil, 8mm disks, thickness 0.007mm, 99.97%; Silver, foil, 8mm disks, thickness 0.008mm, 99.97%; Silver, foil, 8mm disks, thickness 0.009mm, 99.97%; Silver, foil, 8mm disks, thickness 0.015mm, 99.97%; Silver, foil, 8mm disks, thickness 0.01mm, 99.95+%; Silver, foil, 8mm disks, thickness 0.02mm, 99.97%; Silver, plasma standard solution, Specpure, Ag 10g/ml; Silver, powder, <250 mum, 99.99% trace metals basis; Silver, powder, 5-8 mum, >=99.9% trace metals basis; Silver, shot, 1-3 mm, >=99.99% trace metals basis; Silver, wire, diam. 0.1 mm, 99.9% trace metals basis; Silver, wire, diam. 0.5 mm, 99.9% trace metals basis; Silver, wire, diam. 1.0 mm, 99.9% trace metals basis; Silver, wire, diam. 1.5 mm, 99.9% trace metals basis; Silver, wire, diam. 2.0 mm, 99.9% trace metals basis; Silver, foil, 0.2m coil, thickness 0.008mm, 99.95+%; Silver, foil, 0.2m coil, thickness 0.01mm, 99.95+%; Silver, foil, 0.5m coil, thickness 0.008mm, 99.95+%; Silver, foil, 0.5m coil, thickness 0.0125mm, 99.95+%; Silver, foil, 0.5m coil, thickness 0.01mm, 99.95+%; Silver, foil, 10mm disks, thickness 0.0025mm, 99.97%; Silver, foil, 10mm disks, thickness 0.004mm, 99.97%; Silver, foil, 10mm disks, thickness 0.005mm, 99.97%; Silver, foil, 10mm disks, thickness 0.006mm, 99.97%; Silver, foil, 10mm disks, thickness 0.007mm, 99.97%; Silver, foil, 10mm disks, thickness 0.008mm, 99.95+%; Silver, foil, 10mm disks, thickness 0.008mm, 99.97%; Silver, foil, 10mm disks, thickness 0.009mm, 99.97%; Silver, foil, 10mm disks, thickness 0.015mm, 99.97%; Silver, foil, 10mm disks, thickness 0.01mm, 99.95+%; Silver, foil, 15mm disks, thickness 0.0025mm, 99.97%; Silver, foil, 15mm disks, thickness 0.004mm, 99.97%; Silver, foil, 15mm disks, thickness 0.005mm, 99.97%; Silver, foil, 15mm disks, thickness 0.006mm, 99.97%; Silver, foil, 15mm disks, thickness 0.007mm, 99.97%; Silver, foil, 15mm disks, thickness 0.008mm, 99.95+%; Silver, foil, 15mm disks, thickness 0.008mm, 99.97%; Silver, foil, 15mm disks, thickness 0.009mm, 99.97%; Silver, foil, 15mm disks, thickness 0.015mm, 99.97%; Silver, foil, 15mm disks, thickness 0.01mm, 99.95+%; Silver, foil, 1m coil, thickness 0.0125mm, 99.95+%; Silver, foil, 25mm disks, thickness 0.004mm, 99.97%; Silver, foil, 25mm disks, thickness 0.005mm, 99.97%; Silver, foil, 25mm disks, thickness 0.006mm, 99.97%; Silver, foil, 25mm disks, thickness 0.007mm, 99.97%; Silver, foil, 25mm disks, thickness 0.008mm, 99.95+%; Silver, foil, 25mm disks, thickness 0.008mm, 99.97%; Silver, foil, 25mm disks, thickness 0.009mm, 99.97%; Silver, foil, 25mm disks, thickness 0.015mm, 99.97%; Silver, foil, 25mm disks, thickness 0.01mm, 99.95+%; Silver, foil, 2m coil, thickness 0.0125mm, 99.95+%; Silver, foil, 4mm disks, thickness 0.0025mm, 99.97%; Silver, foil, 4mm disks, thickness 0.008mm, 99.95+%; Silver, foil, 4mm disks, thickness 0.0125mm, 99.95+%; Silver, foil, 50mm disks, thickness 0.008mm, 99.95+%; Silver, foil, 50mm disks, thickness 0.01mm, 99.95+%; Silver, foil, 6mm disks, thickness 0.0025mm, 99.97%; Silver, foil, 6mm disks, thickness 0.008mm, 99.95+%; Silver, foil, 6mm disks, thickness 0.0125mm, 99.95+%; Silver, foil, 8mm disks, thickness 0.0025mm, 99.97%; Silver, foil, 8mm disks, thickness 0.008mm, 99.95+%; Silver, foil, 8mm disks, thickness 0.0125mm, 99.95+%; Silver, foil, thickness 0.1 mm, 99.9% trace metals basis; Silver, foil, thickness 0.5 mm, 99.9% trace metals basis; Silver, foil, thickness 1.0 mm, 99.9% trace metals basis; Silver, foil, thickness 1.5 mm, 99.9% trace metals basis; Silver, foil, thickness 2.0 mm, 99.9% trace metals basis; Silver, granular, >250 mum, 99.99% trace metals basis; Silver, Oil based standard solution, Specpure, Ag 1000g/g; Silver, Oil based standard solution, Specpure, Ag 5000g/g; Silver, powder, <45 mum, >=99.99% trace metals basis; Silver, powder, 2-3.5 mum, >=99.9% trace metals basis; Silver, rod, 100mm, diameter 16mm, as drawn, 99.95+%; Silver, rod, 25mm, diameter 16mm, as drawn, 99.95+%; Silver, rod, 25mm, diameter 25mm, as drawn, 99.95+%; Silver, rod, 50mm, diameter 16mm, as drawn, 99.95+%; Silver, rod, 50mm, diameter 6.0mm, as drawn, 99.95+%; Silver, rod, 50mm, diameter 8.0mm, as drawn, 99.95+%; Silver, rod, diam. 3.2 mm, 99.98% trace metals basis; Silver, rod, diam. 7.0 mm, 99.99% trace metals basis; Silver, wire reel, 1m, diameter 0.015mm, hard, 99.99%; Silver, wire reel, 5m, diameter 0.015mm, hard, 99.99%; Silver, wire, diam. 0.25 mm, 99.9% trace metals basis; Silver nanoparticle ink, 30 wt % dispersion in ethylene glycol; Silver, foil, 10mm disks, thickness 0.0125mm, 99.95+%; Silver, foil, 15mm disks, thickness 0.0125mm, 99.95+%; Silver, foil, 1m coil, thickness 0.05mm, annealed, 99.95+%; Silver, foil, 1m coil, thickness 0.1mm, as rolled, 99.95+%; Silver, foil, 25mm disks, thickness 0.0125mm, 99.95+%; Silver, foil, 25x25mm, thickness 0.1mm, annealed, 99.95+%; Silver, foil, 50mm disks, thickness 0.0125mm, 99.95+%; Silver, foil, 50x50mm, thickness 0.1mm, annealed, 99.95+%; Silver, foil, 50x50mm, thickness 3mm, as rolled, 99.95+%; Silver, foil, 50x50mm, thickness 6mm, as rolled, 99.95+%; Silver, foil, thickness 0.025 mm, 99.9% trace metals basis; Silver, foil, thickness 0.075 mm, 99.9% trace metals basis; Silver, foil, thickness 0.25 mm, 99.9% trace metals basis; Silver, foil, thickness 0.25 mm, 99.99% trace metals basis; Silver, foil, thickness 0.5 mm, 99.99% trace metals basis; Silver, foil, thickness 1.0 mm, 99.99% trace metals basis; Silver, needles, 250-600 mum, >=99.99% trace metals basis; Silver, rod, 1000mm, diameter 1.0mm, as drawn, 99.95+%; Silver, rod, 1000mm, diameter 1.5mm, as drawn, 99.95+%; Silver, rod, 1000mm, diameter 2.0mm, as drawn, 99.95+%; Silver, rod, 1000mm, diameter 3.0mm, as drawn, 99.997%; Silver, rod, 1000mm, diameter 3.5mm, as drawn, 99.95+%; Silver, rod, 1000mm, diameter 5.0mm, as drawn, 99.95+%; Silver, rod, 100mm, diameter 1.0mm, as drawn, 99.95+%; Silver, rod, 100mm, diameter 1.5mm, as drawn, 99.95+%; Silver, rod, 100mm, diameter 10.0mm, as drawn, 99.95+%; Silver, rod, 100mm, diameter 12.7mm, as drawn, 99.95+%; Silver, rod, 100mm, diameter 2.0mm, as drawn, 99.95+%; Silver, rod, 100mm, diameter 3.0mm, as drawn, 99.997%; Silver, rod, 100mm, diameter 3.5mm, as drawn, 99.95+%; Silver, rod, 100mm, diameter 5.0mm, as drawn, 99.95+%; Silver, rod, 100mm, diameter 6.0mm, as drawn, 99.95+%; Silver, rod, 100mm, diameter 8.0mm, as drawn, 99.95+%; Silver, rod, 200mm, diameter 1.0mm, as drawn, 99.95+%; Silver, rod, 200mm, diameter 1.5mm, as drawn, 99.95+%; Silver, rod, 200mm, diameter 10.0mm, as drawn, 99.95+%; Silver, rod, 200mm, diameter 2.0mm, as drawn, 99.95+%; Silver, rod, 200mm, diameter 3.0mm, as drawn, 99.997%; Silver, rod, 200mm, diameter 3.5mm, as drawn, 99.95+%; Silver, rod, 200mm, diameter 5.0mm, as drawn, 99.95+%; Silver, rod, 200mm, diameter 6.0mm, as drawn, 99.95+%; Silver, rod, 200mm, diameter 8.0mm, as drawn, 99.95+%; Silver, rod, 25mm, diameter 10.0mm, as drawn, 99.95+%; Silver, rod, 25mm, diameter 12.7mm, as drawn, 99.95+%; Silver, rod, 500mm, diameter 1.0mm, as drawn, 99.95+%; Silver, rod, 500mm, diameter 1.5mm, as drawn, 99.95+%; Silver, rod, 500mm, diameter 2.0mm, as drawn, 99.95+%; Silver, rod, 500mm, diameter 3.0mm, as drawn, 99.997%; Silver, rod, 500mm, diameter 3.5mm, as drawn, 99.95+%; Silver, rod, 500mm, diameter 5.0mm, as drawn, 99.95+%; Silver, rod, 500mm, diameter 6.0mm, as drawn, 99.95+%; Silver, rod, 500mm, diameter 8.0mm, as drawn, 99.95+%; Silver, rod, 50mm, diameter 10.0mm, as drawn, 99.95+%; Silver, rod, 50mm, diameter 12.7mm, as drawn, 99.95+%; Silver, rod, 50mm, diameter 20.0mm, as drawn, 99.95+%; Silver, sphere, 20pcs, diameter 0.5mm, precision sphere grade; Silver, sphere, 50pcs, diameter 0.5mm, precision sphere grade; Silver, wire reel, 0.1m, diameter 2.0mm, annealed, 99.99%; Silver, wire reel, 0.2m, diameter 1.0mm, annealed, 99.99%; Silver, wire reel, 0.2m, diameter 2.0mm, annealed, 99.99%; Silver, wire reel, 0.5m, diameter 0.8mm, as drawn, 99.99%; Silver, wire reel, 0.5m, diameter 1.0mm, annealed, 99.99%; Silver, wire reel, 0.5m, diameter 2.0mm, annealed, 99.99%; Silver, wire reel, 10m, diameter 0.05mm, annealed, 99.99%; Silver, wire reel, 10m, diameter 0.35mm, annealed, 99.99%; Silver, wire reel, 10m, diameter 0.5mm, annealed, 99.99%; Silver, wire reel, 10m, diameter 0.8mm, as drawn, 99.99%; Silver, wire reel, 10m, diameter 1.0mm, annealed, 99.99%; Silver, wire reel, 1m, diameter 0.0125mm, hard, 99.99%; Silver, wire reel, 1m, diameter 0.015mm, annealed, 99.99%; Silver, wire reel, 1m, diameter 0.025mm, as drawn, 99.99%; Silver, wire reel, 1m, diameter 0.25mm, as drawn, 99.997%; Silver, wire reel, 1m, diameter 0.5mm, annealed, 99.99%; Silver, wire reel, 1m, diameter 0.8mm, as drawn, 99.99%; Silver, wire reel, 1m, diameter 1.0mm, annealed, 99.99%; Silver, wire reel, 1m, diameter 2.0mm, annealed, 99.99%; Silver, wire reel, 20m, diameter 0.25mm, annealed, 99.99%; Silver, wire reel, 20m, diameter 0.35mm, annealed, 99.99%; Silver, wire reel, 20m, diameter 0.5mm, annealed, 99.99%; Silver, wire reel, 2m, diameter 0.025mm, as drawn, 99.99%; Silver, wire reel, 2m, diameter 0.5mm, annealed, 99.99%; Silver, wire reel, 2m, diameter 0.8mm, as drawn, 99.99%; Silver, wire reel, 2m, diameter 2.0mm, annealed, 99.99%; Silver, wire reel, 50m, diameter 0.05mm, annealed, 99.99%; Silver, wire reel, 50m, diameter 0.25mm, annealed, 99.99%; Silver, wire reel, 50m, diameter 0.35mm, annealed, 99.99%; Silver, wire reel, 5m, diameter 0.0125mm, hard, 99.99%; Silver, wire reel, 5m, diameter 0.015mm, annealed, 99.99%; Silver, wire reel, 5m, diameter 0.025mm, as drawn, 99.99%; Silver, wire reel, 5m, diameter 0.125mm, annealed, 99.99%; Silver, wire reel, 5m, diameter 0.25mm, annealed, 99.99%; Silver, wire reel, 5m, diameter 0.25mm, as drawn, 99.997%; Silver, wire reel, 5m, diameter 0.35mm, annealed, 99.99%; Silver, wire reel, 5m, diameter 0.5mm, annealed, 99.99%; Silver, wire reel, 5m, diameter 0.8mm, as drawn, 99.99%; Silver, wire reel, 5m, diameter 1.0mm, annealed, 99.99%; Silver, wire, 0.1 mm diameter, length 10 m, purity 99.99%; Silver, wire, 0.1 mm diameter, length 20 m, purity 99.99%; Silver, wire, 0.1 mm diameter, length 5 m, purity 99.99%; Silver, wire, 0.15 mm diameter, length 5 m, purity 99.99%; Silver, wire, diam. 0.127 mm, 99.99% trace metals basis; Silver, wire, diam. 0.25 mm, >=99.99% trace metals basis; Silver, wire, diam. 0.5 mm, >=99.99% trace metals basis; Silver, wire, diam. 1.0 mm, >=99.99% trace metals basis; Silver, wire, diam. 1.5 mm, >=99.99% trace metals basis; Silver, wire, diam. 2.0 mm, >=99.99% trace metals basis; Silver, wool, diam. 0.05 mm, >=99.9% trace metals basis; nano silver antimicrobial finishing agent (manufacturer/supplier); Silver, foil, 0.2m coil, thickness 0.025mm, as rolled, 99.99+%; Silver, foil, 0.5m coil, thickness 0.025mm, as rolled, 99.95+%; Silver, foil, 0.5m coil, thickness 0.025mm, as rolled, 99.99+%; Silver, foil, 0.5m coil, thickness 0.05mm, annealed, 99.95+%; Silver, foil, 0.5m coil, thickness 0.05mm, as rolled, 99.95+%; Silver, foil, 0.5m coil, thickness 0.075mm, as rolled, 99.95+%; Silver, foil, 0.5m coil, thickness 0.125mm, annealed, 99.95+%; Silver, foil, 0.5m coil, thickness 0.125mm, as rolled, 99.95+%; Silver, foil, 0.5m coil, thickness 0.15mm, as rolled, 99.95+%; Silver, foil, 0.5m coil, thickness 0.1mm, annealed, 99.95+%; Silver, foil, 0.5m coil, thickness 0.1mm, as rolled, 99.95+%; Silver, foil, 100x100mm, thickness 0.125mm, annealed, 99.95+%; Silver, foil, 100x100mm, thickness 0.15mm, as rolled, 99.95+%; Silver, foil, 100x100mm, thickness 0.1mm, annealed, 99.95+%; Silver, foil, 100x100mm, thickness 0.1mm, as rolled, 99.95+%; Silver, foil, 100x100mm, thickness 0.20mm, as rolled, 99.95+%; Silver, foil, 100x100mm, thickness 0.25mm, as rolled, 99.95+%; Silver, foil, 100x100mm, thickness 0.25mm, as rolled, 99.99+%; Silver, foil, 100x100mm, thickness 0.5mm, as rolled, 99.95+%; Silver, foil, 100x100mm, thickness 0.5mm, as rolled, 99.99+%; Silver, foil, 100x100mm, thickness 1.0mm, as rolled, 99.95+%; Silver, foil, 100x100mm, thickness 1.0mm, as rolled, 99.99+%; Silver, foil, 10mm disks, thickness 0.05mm, as rolled, 99.95+%; Silver, foil, 10mm disks, thickness 0.125mm, annealed, 99.95+%; Silver, foil, 10mm disks, thickness 0.15mm, as rolled, 99.95+%; Silver, foil, 10mm disks, thickness 0.1mm, annealed, 99.95+%; Silver, foil, 10mm disks, thickness 0.1mm, as rolled, 99.95+%; Silver, foil, 10mm disks, thickness 0.20mm, as rolled, 99.95+%; Silver, foil, 10mm disks, thickness 0.25mm, as rolled, 99.95+%; Silver, foil, 10mm disks, thickness 0.25mm, as rolled, 99.99+%; Silver, foil, 10mm disks, thickness 0.5mm, as rolled, 99.95+%; Silver, foil, 10mm disks, thickness 0.5mm, as rolled, 99.99+%; Silver, foil, 10mm disks, thickness 1.0mm, as rolled, 99.95+%; Silver, foil, 10mm disks, thickness 1.0mm, as rolled, 99.99+%; Silver, foil, 150x150mm, thickness 0.125mm, annealed, 99.95+%; Silver, foil, 150x150mm, thickness 0.15mm, as rolled, 99.95+%; Silver, foil, 150x150mm, thickness 0.1mm, annealed, 99.95+%; Silver, foil, 150x150mm, thickness 0.1mm, as rolled, 99.95+%; Silver, foil, 150x150mm, thickness 0.20mm, as rolled, 99.95+%; Silver, foil, 150x150mm, thickness 0.25mm, as rolled, 99.95+%; Silver, foil, 150x150mm, thickness 0.25mm, as rolled, 99.99+%; Silver, foil, 150x150mm, thickness 0.5mm, as rolled, 99.95+%; Silver, foil, 150x150mm, thickness 0.5mm, as rolled, 99.99+%; Silver, foil, 150x150mm, thickness 1.0mm, as rolled, 99.99+%; Silver, foil, 150x300mm, thickness 0.125mm, annealed, 99.95+%; Silver, foil, 15mm disks, thickness 0.05mm, as rolled, 99.95+%; Silver, foil, 15mm disks, thickness 0.125mm, annealed, 99.95+%; Silver, foil, 15mm disks, thickness 0.15mm, as rolled, 99.95+%; Silver, foil, 15mm disks, thickness 0.1mm, annealed, 99.95+%; Silver, foil, 15mm disks, thickness 0.1mm, as rolled, 99.95+%; Silver, foil, 15mm disks, thickness 0.20mm, as rolled, 99.95+%; Silver, foil, 15mm disks, thickness 0.25mm, as rolled, 99.95+%; Silver, foil, 15mm disks, thickness 0.25mm, as rolled, 99.99+%; Silver, foil, 15mm disks, thickness 0.5mm, as rolled, 99.95+%; Silver, foil, 15mm disks, thickness 0.5mm, as rolled, 99.99+%; Silver, foil, 15mm disks, thickness 1.0mm, as rolled, 99.95+%; Silver, foil, 15mm disks, thickness 1.0mm, as rolled, 99.99+%; Silver, foil, 19mm disks, thickness 0.5mm, as rolled, 99.95+%; Silver, foil, 1m coil, thickness 0.025mm, as rolled, 99.95+%; Silver, foil, 1m coil, thickness 0.05mm, as rolled, 99.95+%; Silver, foil, 1m coil, thickness 0.075mm, as rolled, 99.95+%; Silver, foil, 1m coil, thickness 0.125mm, annealed, 99.95+%; Silver, foil, 1m coil, thickness 0.125mm, as rolled, 99.95+%; Silver, foil, 25mm disks, thickness 0.05mm, as rolled, 99.95+%; Silver, foil, 25mm disks, thickness 0.125mm, annealed, 99.95+%; Silver, foil, 25mm disks, thickness 0.15mm, as rolled, 99.95+%; Silver, foil, 25mm disks, thickness 0.1mm, annealed, 99.95+%; Silver, foil, 25mm disks, thickness 0.1mm, as rolled, 99.95+%; Silver, foil, 25mm disks, thickness 0.20mm, as rolled, 99.95+%; Silver, foil, 25mm disks, thickness 0.25mm, as rolled, 99.95+%; Silver, foil, 25mm disks, thickness 0.25mm, as rolled, 99.99+%; Silver, foil, 25mm disks, thickness 0.5mm, as rolled, 99.95+%; Silver, foil, 25mm disks, thickness 0.5mm, as rolled, 99.99+%; Silver, foil, 25mm disks, thickness 1.0mm, as rolled, 99.95+%; Silver, foil, 25mm disks, thickness 1.0mm, as rolled, 99.99+%; Silver, foil, 25x25mm, thickness 0.125mm, annealed, 99.95+%; Silver, foil, 25x25mm, thickness 0.125mm, as rolled, 99.95+%; Silver, foil, 25x25mm, thickness 0.125mm, as rolled, 99.99+%; Silver, foil, 25x25mm, thickness 0.15mm, as rolled, 99.95+%; Silver, foil, 25x25mm, thickness 0.1mm, as rolled, 99.95+%; Silver, foil, 25x25mm, thickness 0.20mm, as rolled, 99.95+%; Silver, foil, 25x25mm, thickness 0.25mm, as rolled, 99.95+%; Silver, foil, 25x25mm, thickness 0.25mm, as rolled, 99.99+%; Silver, foil, 25x25mm, thickness 0.5mm, as rolled, 99.95+%; Silver, foil, 25x25mm, thickness 0.5mm, as rolled, 99.99+%; Silver, foil, 25x25mm, thickness 1.0mm, as rolled, 99.95+%; Silver, foil, 25x25mm, thickness 1.0mm, as rolled, 99.99+%; Silver, foil, 25x25mm, thickness 2.0mm, as rolled, 99.95+%; Silver, foil, 2m coil, thickness 0.025mm, annealed, 99.95+%; Silver, foil, 2m coil, thickness 0.025mm, as rolled, 99.95+%; Silver, foil, 2m coil, thickness 0.035mm, as rolled, 99.95+%; Silver, foil, 2m coil, thickness 0.05mm, as rolled, 99.95+%; Silver, foil, 2m coil, thickness 0.075mm, as rolled, 99.95+%; Silver, foil, 300x300mm, thickness 0.1mm, annealed, 99.95+%; Silver, foil, 4mm disks, thickness 0.025mm, as rolled, 99.95+%; Silver, foil, 4mm disks, thickness 0.025mm, as rolled, 99.99+%; Silver, foil, 4mm disks, thickness 0.035mm, as rolled, 99.95+%; Silver, foil, 4mm disks, thickness 0.05mm, as rolled, 99.95+%; Silver, foil, 4mm disks, thickness 0.075mm, as rolled, 99.95+%; Silver, foil, 4mm disks, thickness 0.125mm, annealed, 99.95+%; Silver, foil, 4mm disks, thickness 0.125mm, as rolled, 99.95+%; Silver, foil, 4mm disks, thickness 0.125mm, as rolled, 99.99+%; Silver, foil, 4mm disks, thickness 0.15mm, as rolled, 99.95+%; Silver, foil, 4mm disks, thickness 0.1mm, annealed, 99.95+%; Silver, foil, 4mm disks, thickness 0.1mm, as rolled, 99.95+%; Silver, foil, 4mm disks, thickness 0.20mm, as rolled, 99.95+%; Silver, foil, 4mm disks, thickness 0.25mm, as rolled, 99.95+%; Silver, foil, 4mm disks, thickness 0.25mm, as rolled, 99.99+%; Silver, foil, 4mm disks, thickness 0.5mm, as rolled, 99.95+%; Silver, foil, 4mm disks, thickness 0.5mm, as rolled, 99.99+%; Silver, foil, 4mm disks, thickness 1.0mm, as rolled, 99.95+%; Silver, foil, 4mm disks, thickness 1.0mm, as rolled, 99.99+%; Silver, foil, 50mm disks, thickness 0.05mm, as rolled, 99.95+%; Silver, foil, 50mm disks, thickness 0.125mm, annealed, 99.95+%; Silver, foil, 50mm disks, thickness 0.15mm, as rolled, 99.95+%; Silver, foil, 50mm disks, thickness 0.1mm, annealed, 99.95+%; Silver, foil, 50mm disks, thickness 0.1mm, as rolled, 99.95+%; Silver, foil, 50mm disks, thickness 0.20mm, as rolled, 99.95+%; Silver, foil, 50mm disks, thickness 0.25mm, as rolled, 99.95+%; Silver, foil, 50mm disks, thickness 0.25mm, as rolled, 99.99+%; Silver, foil, 50x50mm, thickness 0.125mm, annealed, 99.95+%; Silver, foil, 50x50mm, thickness 0.125mm, as rolled, 99.95+%; Silver, foil, 50x50mm, thickness 0.125mm, as rolled, 99.99+%; Silver, foil, 50x50mm, thickness 0.15mm, as rolled, 99.95+%; Silver, foil, 50x50mm, thickness 0.1mm, as rolled, 99.95+%; Silver, foil, 50x50mm, thickness 0.20mm, as rolled, 99.95+%; Silver, foil, 50x50mm, thickness 0.25mm, as rolled, 99.95+%; Silver, foil, 50x50mm, thickness 0.25mm, as rolled, 99.99+%; Silver, foil, 50x50mm, thickness 0.5mm, as rolled, 99.95+%; Silver, foil, 50x50mm, thickness 0.5mm, as rolled, 99.99+%; Silver, foil, 50x50mm, thickness 1.0mm, as rolled, 99.95+%; Silver, foil, 50x50mm, thickness 1.0mm, as rolled, 99.99+%; Silver, foil, 50x50mm, thickness 2.0mm, as rolled, 99.95+%; Silver, foil, 6mm disks, thickness 0.025mm, as rolled, 99.95+%; Silver, foil, 6mm disks, thickness 0.025mm, as rolled, 99.99+%; Silver, foil, 6mm disks, thickness 0.035mm, as rolled, 99.95+%; Silver, foil, 6mm disks, thickness 0.05mm, as rolled, 99.95+%; Silver, foil, 6mm disks, thickness 0.075mm, as rolled, 99.95+%; Silver, foil, 6mm disks, thickness 0.125mm, annealed, 99.95+%; Silver, foil, 6mm disks, thickness 0.125mm, as rolled, 99.95+%; Silver, foil, 6mm disks, thickness 0.125mm, as rolled, 99.99+%; Silver, foil, 6mm disks, thickness 0.15mm, as rolled, 99.95+%; Silver, foil, 6mm disks, thickness 0.1mm, annealed, 99.95+%; Silver, foil, 6mm disks, thickness 0.1mm, as rolled, 99.95+%; Silver, foil, 6mm disks, thickness 0.20mm, as rolled, 99.95+%; Silver, foil, 6mm disks, thickness 0.25mm, as rolled, 99.95+%; Silver, foil, 6mm disks, thickness 0.25mm, as rolled, 99.99+%; Silver, foil, 6mm disks, thickness 0.5mm, as rolled, 99.95+%; Silver, foil, 6mm disks, thickness 0.5mm, as rolled, 99.99+%; Silver, foil, 6mm disks, thickness 1.0mm, as rolled, 99.95+%; Silver, foil, 6mm disks, thickness 1.0mm, as rolled, 99.99+%; Silver, foil, 8mm disks, thickness 0.025mm, as rolled, 99.95+%; Silver, foil, 8mm disks, thickness 0.025mm, as rolled, 99.99+%; Silver, foil, 8mm disks, thickness 0.035mm, as rolled, 99.95+%; Silver, foil, 8mm disks, thickness 0.05mm, as rolled, 99.95+%; Silver, foil, 8mm disks, thickness 0.075mm, as rolled, 99.95+%; Silver, foil, 8mm disks, thickness 0.125mm, annealed, 99.95+%; Silver, foil, 8mm disks, thickness 0.125mm, as rolled, 99.95+%; Silver, foil, 8mm disks, thickness 0.125mm, as rolled, 99.99+%; Silver, foil, 8mm disks, thickness 0.15mm, as rolled, 99.95+%; Silver, foil, 8mm disks, thickness 0.1mm, annealed, 99.95+%; Silver, foil, 8mm disks, thickness 0.1mm, as rolled, 99.95+%; Silver, foil, 8mm disks, thickness 0.20mm, as rolled, 99.95+%; Silver, foil, 8mm disks, thickness 0.25mm, as rolled, 99.95+%; Silver, foil, 8mm disks, thickness 0.25mm, as rolled, 99.99+%; Silver, foil, 8mm disks, thickness 0.5mm, as rolled, 99.95+%; Silver, foil, 8mm disks, thickness 0.5mm, as rolled, 99.99+%; Silver, foil, 8mm disks, thickness 1.0mm, as rolled, 99.95+%; Silver, foil, 8mm disks, thickness 1.0mm, as rolled, 99.99+%; Silver, foil, light tested, 25x25mm, thickness 0.008mm, 99.97%; Silver, foil, light tested, 25x25mm, thickness 0.009mm, 99.97%; Silver, foil, light tested, 25x25mm, thickness 0.015mm, 99.97%; Silver, foil, light tested, 25x25mm, thickness 0.02mm, 99.97%; Silver, foil, light tested, 50x50mm, thickness 0.015mm, 99.97%; Silver, foil, light tested, 50x50mm, thickness 0.02mm, 99.97%; Silver, foil, thickness 0.015 mm, 4 mm diameter, purity 99.95+%; Silver, foil, thickness 0.015 mm, diameter 6 mm, purity 99.95+%; Silver, foil, thickness 0.015 mm, diameter 8 mm, purity 99.95+%; Silver, foil, thickness 0.015 mm, length 0.2 m, purity 99.95+%; Silver, foil, thickness 0.015 mm, length 0.5 m, purity 99.95+%; Silver, foil, thickness 0.015 mm, length 1 m, purity 99.95+%; Silver, foil, thickness 0.030 mm, length 0.2 m, purity 99.95+%; Silver, foil, thickness 0.030 mm, length 0.5 m, purity 99.95+%; Silver, foil, thickness 0.030 mm, length 1 m, purity 99.95+%; Silver, foil, thickness 0.5 mm, 10 mm diameter, purity 99.95+%; Silver, foil, thickness 0.5 mm, 25 mm diameter, purity 99.95+%; Silver, foil, thickness 0.5 mm, 6 mm diameter, purity 99.95+%; Silver, foil, thickness 0.5 mm, 8 mm diameter, purity 99.95+%; Silver, foil, thickness 0.5 mm, diameter 15 mm, purity 99.95+%; Silver, foil, thickness 0.5 mm, diameter 4 mm, purity 99.95+%; Silver, lump, 10 mm max. lump size, weight 20 g, purity 99.99%; Silver, lump, 10 mm max. lump size, weight 50 g, purity 99.99%; Silver, lump, 20 mm max. lump size, weight 50 g, purity 99.99%; Silver, lump, 6 mm max. lump size, weight 100 g, purity 99.99%; Silver, lump, 6 mm max. lump size, weight 20 g, purity 99.99%; Silver, lump, 6 mm max. lump size, weight 50 g, purity 99.99%; Silver, nanopowder, <150 nm particle size, 99% trace metals basis; Silver, rod, 7.0 mm diameter, length 100 mm, high purity 99.99%; Silver, rod, 7.0 mm diameter, length 100 mm, purity 99.95+%; Silver, rod, 7.0 mm diameter, length 200 mm, high purity 99.99%; Silver, rod, 7.0 mm diameter, length 50 mm, high purity 99.99%; Silver, rod, 7.0 mm diameter, length 50 mm, purity 99.95+%; Silver, rod, 7.0 mm diameter, length 500 mm, high purity 99.99%; Silver, rod, 7.0 mm diameter, length 500 mm, purity 99.95+%; Silver, rod, 7.0 mm diameter, purity 99.95+%, length 200 mm; Silver, sphere, 100pcs, diameter 0.5mm, precision sphere grade; Silver, sphere, 200pcs, diameter 0.5mm, precision sphere grade; Silver, wire reel, 0.5m, diameter 0.050mm, gold plated, 99.99%; Silver, wire reel, 0.5m, diameter 0.25mm, as drawn, 99.997%; Silver, wire reel, 1000m, diameter 0.05mm, annealed, 99.99%; Silver, wire reel, 100m, diameter 0.05mm, annealed, 99.99%; Silver, wire reel, 100m, diameter 0.125mm, annealed, 99.99%; Silver, wire reel, 100m, diameter 0.25mm, annealed, 99.99%; Silver, wire reel, 10m, diameter 0.025mm, as drawn, 99.99%; Silver, wire reel, 10m, diameter 0.125mm, annealed, 99.99%; Silver, wire reel, 10m, diameter 0.25mm, as drawn, 99.997%; Silver, wire reel, 1m, diameter 0.050mm, gold plated, 99.99%; Silver, wire reel, 20m, diameter 0.025mm, as drawn, 99.99%; Silver, wire reel, 20m, diameter 0.125mm, annealed, 99.99%; Silver, wire reel, 25m, diameter 0.25mm, as drawn, 99.997%; Silver, wire reel, 2m, diameter 0.050mm, gold plated, 99.99%; Silver, wire reel, 500m, diameter 0.05mm, annealed, 99.99%; Silver, wire reel, 500m, diameter 0.125mm, annealed, 99.99%; Silver, wire reel, 5m, diameter 0.050mm, gold plated, 99.99%; Silver, wire, 0.025 mm diameter, length 1 m, purity 99.99%; Silver, wire, 0.025 mm diameter, length 10 m, purity 99.99%; Silver, wire, 0.025 mm diameter, length 20 m, purity 99.99%; Silver, wire, 0.025 mm diameter, length 5 m, purity 99.99%; Silver, wire, 0.075 mm diameter, length 5 m, purity 99.99%; Silver, wire, 0.1 mm diameter, length 100 m, purity 99.99%; Silver, wire, 0.1 mm diameter, length 500 m, purity 99.99%; Silver, wire, 0.15 mm diameter, length 10 m, purity 99.99%; Silver, wire, 0.15 mm diameter, length 100 m, purity 99.99%; Silver, wire, 0.15 mm diameter, length 20 m, purity 99.99%; Silver, wire, 0.15 mm diameter, length 250 m, purity 99.99%; Silver, wire, length 2 m, 0.025 mm diameter, purity 99.99%; Silver sputtering target, 50.8mm (2.0in) dia x 6.35mm (0.250in) thick; Silver, 99.9%, (trace metal basis), wire, 1.0 mm diam., 1ea = 8.2gr; Silver, 99.9%, (trace metal basis), wire, 2.0 mm diam., 1ea = 16.5gr; Silver, foil, 0.5m coil, thickness 0.0125mm, coil width 9mm, 99.95+%; Silver, foil, 100x100mm, thickness 0.125mm, as rolled, 99.95+%; Silver, foil, 100x100mm, thickness 0.125mm, as rolled, 99.99+%; Silver, foil, 10m coil, thickness 0.0125mm, coil width 9mm, 99.95+%; Silver, foil, 10mm disks, thickness 0.025mm, as rolled, 99.95+%; Silver, foil, 10mm disks, thickness 0.025mm, as rolled, 99.99+%; Silver, foil, 10mm disks, thickness 0.035mm, as rolled, 99.95+%; Silver, foil, 10mm disks, thickness 0.075mm, as rolled, 99.95+%; Silver, foil, 10mm disks, thickness 0.125mm, as rolled, 99.95+%; Silver, foil, 10mm disks, thickness 0.125mm, as rolled, 99.99+%; Silver, foil, 150x150mm, thickness 0.125mm, as rolled, 99.95+%; Silver, foil, 150x150mm, thickness 0.125mm, as rolled, 99.99+%; Silver, foil, 150x300mm, thickness 0.125mm, as rolled, 99.95+%; Silver, foil, 15mm disks, thickness 0.025mm, as rolled, 99.95+%; Silver, foil, 15mm disks, thickness 0.025mm, as rolled, 99.99+%; Silver, foil, 15mm disks, thickness 0.035mm, as rolled, 99.95+%; Silver, foil, 15mm disks, thickness 0.075mm, as rolled, 99.95+%; Silver, foil, 15mm disks, thickness 0.125mm, as rolled, 99.95+%; Silver, foil, 15mm disks, thickness 0.125mm, as rolled, 99.99+%; Silver, foil, 1m coil, thickness 0.0125mm, coil width 9mm, 99.95+%; Silver, foil, 25mm disks, thickness 0.025mm, as rolled, 99.95+%; Silver, foil, 25mm disks, thickness 0.025mm, as rolled, 99.99+%; Silver, foil, 25mm disks, thickness 0.035mm, as rolled, 99.95+%; Silver, foil, 25mm disks, thickness 0.075mm, as rolled, 99.95+%; Silver, foil, 25mm disks, thickness 0.125mm, as rolled, 99.95+%; Silver, foil, 25mm disks, thickness 0.125mm, as rolled, 99.99+%; Silver, foil, 2m coil, thickness 0.0125mm, coil width 9mm, 99.95+%; Silver, foil, 50mm disks, thickness 0.025mm, as rolled, 99.95+%; Silver, foil, 50mm disks, thickness 0.025mm, as rolled, 99.99+%; Silver, foil, 50mm disks, thickness 0.035mm, as rolled, 99.95+%; Silver, foil, 50mm disks, thickness 0.075mm, as rolled, 99.95+%; Silver, foil, 50mm disks, thickness 0.125mm, as rolled, 99.95+%; Silver, foil, 50mm disks, thickness 0.125mm, as rolled, 99.99+%; Silver, foil, 5m coil, thickness 0.0125mm, coil width 9mm, 99.95+%; Silver, foil, light tested, 100x100mm, thickness 0.015mm, 99.97%; Silver, foil, light tested, 100x100mm, thickness 0.02mm, 99.97%; Silver, foil, light tested, 25x25mm, thickness 0.0125mm, 99.95+%; Silver, foil, light tested, 50x50mm, thickness 0.0125mm, 99.95+%; Silver, foil, not light tested, 100x100mm, thickness 0.0025mm, 99.97%; Silver, foil, not light tested, 100x100mm, thickness 0.002mm, 99.97%; Silver, foil, not light tested, 100x100mm, thickness 0.003mm, 99.9%; Silver, foil, not light tested, 100x100mm, thickness 0.004mm, 99.97%; Silver, foil, not ligh",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "Ag",
"molecular_weight": "107.868",
"state": "solid",
"clearance": "",
"volume_of_distribution": "Following exposure to large amounts, excess silver is reported to accumulate in skin, liver, kidneys, spleen, corneas, gingival, mucous membranes and nails [A33141]. In a study of rats with ligated bile ducts, deposition of silver was 48% in the liver and 2.5% in the gastrointestinal tract [L2853]. Clinical and experimental studies suggest that silver is bound as inert precipitates in lysosomal vacuoles of the blood brain barrier and blood-CSF barrier without being absorbed into neurological tissue [A33138].",
"route_of_elimination": "Silver mainly undergoes biliary elimination to be excreted as feces [L2853]. Findings from a rat study demonstrates that biliary excretion accounted for between 24% and 45% of total silver administered, and animal studies indicate that fecal elimination may account for up to 99% of the ingested silver [L2853].",
"protein_binding": "Silver absorbed in the body as Ag+ bind rapidly to various proteins including albumin and macroglobulin as inert complexes for distribution to bone and soft tissues [A33138, L2853].",
"half_life": "The biological half-life for silver is a few days for animals and up to 50 days for human liver [L2853]. In humans, the biological half-life of silver in lungs has been estimated to range from 1 to 52 days [L2853].",
"absorption": "Although metallic silver is inert in the presence of human tissues, silver and its compounds may dissociate upon contact with skin surface, body fluids, and secretions, allowing the silver ions to be absorbed into the blood circulation [A33138]. Soluble silver salts are absorbed from the respiratory and gastrointestinal tracts. However, up to 90-99% of orally ingested silver is not absorbed and percutaneous absorption of silver ions through intact or damaged skin is also reported to be low [A33138]. Absorbed silver ions are deposited into elastic and connective tissues throughout the body [L2853]. Biologically active silver ions mainly binds to intracellular proteins as inert complexes, and readily binds and precipitates with inorganic cations like chloride and phosphate, which explains low absorption [A33138].",
"cid": "23954",
"classification": "D",
"indications": "Burns third degree; Wound sepsis",
"side_effects": "",
"atc_codes": "D08AL30; D06BA01",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0398",
"name": "resveratrol",
"synonyms": "resveratrol; 501-36-0; trans-resveratrol; 3,4',5-Trihydroxystilbene; 3,5,4'-Trihydroxystilbene; (E)-resveratrol; 3,4',5-Stilbenetriol; (E)-5-(4-Hydroxystyryl)benzene-1,3-diol; 5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol; Resvida; 3,4',5-Trihydroxy-trans-stilbene; SRT-501; SRT501; 3,5,4'-Trihydroxy-trans-stilbene; Resveratol; trans-3,4',5-trihydroxystilbene; 5-[(E)-2-(4-hydroxyphenyl)vinyl]benzene-1,3-diol; 5-[(1E)-2-(4-Hydroxyphenyl)ethenyl]-1,3-benzenediol; Resveratrol, natural; UNII-Q369O8926L; CHEBI:45713; C14H12O3; trans-1,2-(3,4',5-Trihydroxydiphenyl)ethylene; 5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol; CHEMBL165; NSC 327430; (E)-5-[2-(4-hydroxyphenyl)ethenyl]-1,3-benzendiol; MLS000069735; 1,3-Benzenediol, 5-(2-(4-hydroxyphenyl)ethenyl)-, (E)-; LUKBXSAWLPMMSZ-OWOJBTEDSA-N; trans-3,4',5 - trihydroxystilbene; NSC327430; Q369O8926L; 5-((1E)-2-(4-Hydroxyphenyl)ethenyl)-1,3-benzenediol; SMR000058206; DSSTox_CID_11980; DSSTox_RID_78898; DSSTox_GSID_31980; SRT 501; MFCD00133799; 3,4',5-trihydroxy-stilbene; SR-01000000163; (E)-5-(p-Hydroxystyryl)resorcinol; 5-[(1E)-2-(4-hydroxyphenyl)vinyl]benzene-1,3-diol; CHEBI:27881; CCRIS 8952; HSDB 7571; 3fts; 4jaz; 4qer; Resveratrol, E-; Resveratrol,(S); KUC104385N; Stilbene, 2f; TaxusChinensisiRehd; NCGC00015894-02; PREVENTION 8 (RESVERATROL); AK-39118; CAS-501-36-0; STL; Prestwick_619; Resveratrol, trans-; Resveratrol, 99%; KSC-10-164; Resveratrol, synthetic; RM-1812; trans-3,4′,5-Trihydroxystilbene; Opera_ID_586; Prestwick2_000508; Prestwick3_000508; Spectrum5_000552; 5-[(Z)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol; R 5010; Lopac0_001111; REGID_for_CID_6240; SCHEMBL19425; BSPBio_000435; BSPBio_001114; BSPBio_003461; MLS001055357; MLS001076538; MLS001424228; MLS002207121; MLS002222231; ARONIS24568; SPECTRUM1502223; CU-01000001503-3; BPBio1_000479; cid_445154; GTPL8741; SGCUT00007; ZINC6787; Resveratrol, analytical standard; DTXSID4031980; REGID_for_CID_445154; BDBM23926; Resveratrol, >=99% (HPLC); 1,3-Benzenediol, 5-[(1E)-2-(4-hydroxyphenyl)ethenyl]-; BBC/741; BIK9013; 2l98; BCPP000091; HMS1362H15; HMS1569F17; HMS1792H15; HMS1921N04; HMS1990H15; HMS2052I09; HMS2096F17; HMS2232A18; HMS3263O04; HMS3403H15; HMS3412O14; HMS3649A20; HMS3676O14; ACT09778; BCP01416; to_000079; ZX-AS004941; ZX-AT013797; Tox21_110257; Tox21_201374; Tox21_303376; Tox21_501111; ABP000376; AC-727; BBL028252; BS0159; CCG-38874; CR-003; GP2549; GP5884; LMPK13090005; s1396; SBB055452; STL146386; AKOS005720936; Tox21_110257_1; ACN-034773; API0000480; CS-1050; DB02709; KS-5047; LP01111; LS-2146; MCULE-5678456463; NC00349; NSC-327430; OR46018; SB17273; SDCCGMLS-0002998.P003; IDI1_002152; NCGC00017352-05; NCGC00017352-06; NCGC00017352-07; NCGC00017352-08; NCGC00017352-09; NCGC00017352-10; NCGC00017352-11; NCGC00017352-12; NCGC00017352-13; NCGC00017352-14; NCGC00017352-15; NCGC00017352-16; NCGC00017352-17; NCGC00017352-18; NCGC00017352-19; NCGC00017352-24; NCGC00024003-00; NCGC00024003-04; NCGC00024003-05; NCGC00024003-06; NCGC00024003-07; NCGC00024003-08; NCGC00024003-09; NCGC00024003-10; NCGC00024003-11; NCGC00024003-12; NCGC00024003-13; NCGC00024003-14; NCGC00257465-01; NCGC00258925-01; NCGC00261796-01; 4CN-0696; AS-12413; BR-39118; CC-34242; CPD000058206; HY-16561; SAM001246888; SC-11924; ST057251; AB0006623; AX8004672; ST2408097; EU-0101111; FT-0082623; N1848; R0071; Resveratrol, Vetec(TM) reagent grade, 98%; SW196786-4; trans [2,5,4'-trihydroxydiphenyl] ethylene; 01R360; A10785; C03582; J10118; N88795; 5-[2-(4-hydroxyphenyl)vinyl]-1,3-benzenediol; AB00052942-29; AB00052942_31; A827984; Q407329; 5-[(E)-2-(4-Hydroxyphenyl)vinyl]-1,3-benzoldiol; SR-01000000163-3; SR-01000000163-4; SR-01000000163-9; 5-[(E)-2-(4-hydroxyphenyl)ethenyl]-1,3-benzenediol; 5-[(E)-2-(4-Hydroxyphenyl)ethenyl]benzol-1,3-diol; 5-[(E)-2-(4-Hydroxyphenyl)vinyl]-1,3-benzenediol; 5[(E)-2-(4-Hydroxyphenyl)-vinyl]benzene 1,3-diol; BRD-K25591257-001-01-2; BRD-K80738081-001-06-2; BRD-K80738081-001-07-0; BRD-K80738081-001-09-6; BRD-K80738081-001-10-4; BRD-K80738081-001-23-7; SR-01000000163-10; SR-01000000163-11; SR-01000000163-16; (E)-1-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)ethene; (E)1-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)ethene; 5-[(1E)-2-(4-Hydroxyphenyl)ethenyl]-1,3,benzenediol; Resveratrol, certified reference material, TraceCERT(R); 1,3-Benzenediol, 5-[(E)-2-(4-hydroxyphenyl)ethenyl]-; Resveratrol, European Pharmacopoeia (EP) Reference Standard; 533C1DA0-4104-42B5-9D32-9265F40857E4; trans-Resveratrol, United States Pharmacopeia (USP) Reference Standard; 3,4',5-Trihydroxy-trans-stilbene 5-[(1E)-2-(4-hydroxyphenyl)ethenyl]-1,3-benzenediol; (E)-5-(2-(4-hydroxyphenyl)ethenyl)-1,3-benzenediol(E)-5-(2-(4-hydroxyphenyl)ethenyl)-1,3-benzenediol; InChI=1/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1",
"trade_name": "",
"abbrev_name": "SRT501",
"description": "stilbenoid (a derivate of stilbene); a type of natural phenol; a polyphenolic phytoalexin produced by several plants in response to injury or when the plant is under attack by pathogens",
"molecular_formula": "C14H12O3",
"molecular_weight": "228.24",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "445154",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T002",
"T019",
"T019003",
"T408",
"T422"
],
"function": [
"F0108",
"F0201",
"F020103",
"F0303",
"F08"
],
"references": [
"RC01211",
"RC01428",
"RC01429",
"RC01430",
"RC01431",
"RC01432",
"RC02107",
"RC02728",
"RC03349",
"RC03758",
"RC04114",
"RC04238",
"RC04362",
"RC04486",
"RC04610"
]
},
{
"compound_ID": "D0400",
"name": "Tafenoquine",
"synonyms": "Tafenoquine; 106635-80-7; WR-238605; Etaquine; WR 238605; N(4)-(2,6-Dimethoxy-4-methyl-5-((3-trifluoromethyl)phenoxy)-8-quinolinyl)-1,4-pentanediamine; WR238605; (R)-N3-(2,6-Dimethoxy-4-methyl-5-(3-trifluoromethyl)phenoxy)quinolin-8-yl)pentane-1,4-diamine; Krintafel; (RS)-N(sup 3)-(2,6-Dimethoxy-4-methyl-5-(3-trifluoro-methylphenoxy)quinolin-8-yl)pentane-1,4-diamine; 1,4-Pentanediamine, N4-(2,6-dimethoxy-4-methyl-5-(3-(trifluoromethyl)phenoxy)-8-quinolinyl)-; Tafenoquine [INN:BAN]; SB-252263; Arakoda; Tafenoquine [USAN:INN:BAN]; C24H28F3N3O3; SB-252263-AAB; 1,4-Pentanediamine, N4-[2,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]-8-quinolinyl]-; Tafenoquine (USAN); SCHEMBL347388; CHEMBL298470; GTPL9722; CHEBI:141487; LBHLFPGPEGDCJG-UHFFFAOYSA-N; SB-252263AAB; EX-A3146; SB16555; ZINC000001888486; HY-111529; LS-172012; CS-0042381; D10490; Q2387553; N4-[2,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]-8-quinolyl]pentane-1,4-diamine; (+/-)-8-[(4-amino-1-methylbutyl)amino]-2,6-dimethoxy-4-methyl-5-(3-trifluoromethylphenoxy) quinoline; (4-Amino-1-methylbutyl){2,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy](8-quinolyl)}amine; N(4)-{2,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl}pentane-1,4-diamine",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C24H28F3N3O3",
"molecular_weight": "463.5",
"state": "solid",
"clearance": "Tafenoquine presents a low clearance of approximately 6 L/h.[A35677]",
"volume_of_distribution": "Tafenoquine presents a high volume of distribution of approximately 2 560 L.[A35677]",
"route_of_elimination": "After degradation by different metabolic pathways, tafenoquine is slowly excreted from the body primarily in the feces and renal elimination of the unchanged form is very low.[T304]",
"protein_binding": "The plasma protein binding of tafenoquine in humans is very high and it represents about 99.5%.[T304]",
"half_life": "Tafenoquine presents a long half-life of approximately 14 days.[A35693]",
"absorption": "The first-in-human pharmacokinetic study showed a tmax of 13.8 hours and this study suggested that the prolonged absorption from the gut can be due to absorption in the distal gastrointestinal tract combined with a slow clearance. The AUC and Cmax demonstrated an intersubject variability. The bioavailability of tafenoquine is increased in the presence of a high-fat meal by modifying the amount of drug absorbed rather than the rate of absorption. Once absorbed, the concentration of tafenoquine in the whole body is two-fold higher than the corresponding concentration in plasma and it seems to be highly distributed in the liver showing an AUC of approximately 80 times more than what is found in the plasma.[A35677]",
"cid": "115358",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0401",
"name": "Tea tree oil",
"synonyms": "68649-42-3; Phosphorodithioic acid, O,O-di-C1-14-alkyl esters, zinc salts; TEA TREE OIL; EINECS 272-028-3; 68647-73-4; Dialkyl(C1-C14)dithiophosphoric acid, zinc salt; SCHEMBL164653; Zinc Dialkylphosphorodithiloate; DTXSID30874014; Zinc bis(O,O-diheptyl phosphorodithioate); 82322-26-7",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C28H60O4P2S4Zn",
"molecular_weight": "716.4",
"state": "",
"clearance": "No pharmacokinetic data available.",
"volume_of_distribution": "No pharmacokinetic data available.",
"route_of_elimination": "No pharmacokinetic data available.",
"protein_binding": "No pharmacokinetic data available.",
"half_life": "No pharmacokinetic data available.",
"absorption": "No pharmacokinetic data available.",
"cid": "22833361",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0402",
"name": "Teriflunomide",
"synonyms": "Teriflunomide; 163451-81-8; Flucyamide; Aubagio; 108605-62-5; A77 1726; HMR 1726; HMR1726; (Z)-2-Cyano-3-hydroxy-N-(4-(trifluoromethyl)phenyl)but-2-enamide; A 771726; HMR-1726; SU 20; teriflunomida; teriflunomidum; A771726; RS 61980; A-771726; UNII-1C058IKG3B; CHEBI:68540; A 77-1726; 2-Cyano-3-hydroxy-N-(4-(trifluoromethyl)phenyl)-2-butenamide; (Z)-2-cyano-alpha,alpha,alpha-trifluoro-3-hydroxy-p-crotonotoluidide; 1C058IKG3B; N-(4-Trifluoromethylphenyl)-2-cyano-2-hydroxycrotonamide; (2z)-2-Cyano-3-Hydroxy-N-[4-(Trifluoromethyl)phenyl]but-2-Enamide; (Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide; 2-Butenamide, 2-cyano-3-hydroxy-N-(4-(trifluoromethyl)phenyl)-; 2-Butenamide, 2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]-, (2Z)-; 2-Cyano-3-OH-N-(4-trifluoromethylphenyl)croton amide; Teriflunomide [INN]; 2-cyano-3-hydroxy-N-(4-(trifluoromethyl)phenyl)but-2-enamide; Teriflunomide(Random Configuration); 2-Butenamide, 2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]-; Active metabolite of leflunomide; Teriflunomide [USAN:INN]; Teriflunamide; 2-cyano-3-hydroxy-n-[4-(trifluoromethyl)phenyl]-2-butenamide; Malononitrilamide; A26; A77-1726; Aubagio (TN); 1185240-22-5; SU-0020; Teriflunomide (USAN); RS-61980; 2-hydroxyethylidene-cyanoacetic acid-4-trifluoromethyl anilide; Leflunomide EP Impurity B; (2Z)-2-[hydroxy-[4-(trifluoromethyl)anilino]methylidene]-3-oxobutanenitrile; A 1726; SCHEMBL22661; Teriflunomide(A-771726); Teriflunomide, A77 1726; GTPL6844; DTXSID80893457; UTNUDOFZCWSZMS-YFHOEESVSA-N; (Z)-2-Cyano-alpha'alpha'alpha-trifluoro-3-hydroxy-p-crotonotoluidide; BDBM50018011; s4169; ZINC13512456; AKOS015994773; API0000341; DB08880; LE-0275; SB16822; AC-26446; CC-10329; LS-46899; SC-90977; RT-011141; ST24036515; SW219377-1; Leflunomide-d4 Metabolite (Teriflunomide-d4); D10172; EN300-189832; AB01565775_02; A801897; C-16971; J-010046; Q3077133; N-(4-trifluoromethylphenyl)-2-cyano-3-hydroxycrotonamide; N-[4-(Trifluoromethyl)phenyl]-2-cyano-3-hydroxycrotonamide; (Z)-2-Cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]-2-butenamide; 163451-81-8 (Z Isomer) , 108605-62-5 (E/Z Mixture); 2-Butenamide, 2-cyano-3-hydroxy-N-(4-(trifluoromethyl)phenyl)-, (Z)-; A 77-1726;A771726;HMR1726;CAS# 108605-62-5; (2Z)-2-Cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide (Teriflunomide); Leflunomide Related Compound B, United States Pharmacopeia (USP) Reference Standard; (2Z)-3-oxidanylidene-2-[oxidanyl-[[4-(trifluoromethyl)phenyl]amino]methylidene]butanenitrile; Teriflunomide; Leflunomide USP RC B; Cyano Keto leflunomide impurity; N-(4-Trifluoromethylphenyl)-2-cyano-3-hydroxycrotonamide; 2-Cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]-2-beuteamide",
"trade_name": "Aubagio",
"abbrev_name": "",
"description": "treatment of multiple sclerosis ; being the active metabolite of leflunomide; immunomodulatory drug inhibiting pyrimidine de novo synthesis by blocking the enzyme dihydroorotate dehydrogenase",
"molecular_formula": "C12H9F3N2O2",
"molecular_weight": "270.21",
"state": "solid",
"clearance": "After a single IV dose, teriflunomide has a total body clearance of 30.5 mL/h.",
"volume_of_distribution": "After a single intravenous dose, the volume of distribution is 11 L.",
"route_of_elimination": "Teriflunomide is eliminated unchanged and mainly through bile. Specifically 37.5% is eliminated in the feces and 22.6% in urine.\n",
"protein_binding": "Teriflunomide is extensively plasma protein bound(>99%).",
"half_life": "The median half-life is 18 to 19 days.",
"absorption": "After oral administration of teriflunomide, maximum plasma concentrations are reached, on average, in 1-4 hours.\n\n",
"cid": "54684141",
"classification": "L",
"indications": "",
"side_effects": "",
"atc_codes": "L04AA31",
"group": "Drug",
"drug_type": "",
"target": [
"T251"
],
"function": [
"F030803"
],
"references": [
"RC03911"
]
},
{
"compound_ID": "D0403",
"name": "Tetraferric tricitrate decahydrate",
"synonyms": "tetraferric tricitrate decahydrate; UNII-Q91187K011; Q91187K011; Q22075864",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C18H32Fe4O31",
"molecular_weight": "967.8",
"state": "",
"clearance": "The rate of iron loss is approximately 1 mg/day [A32514]. The pharmacokinetic properties of ferric compounds vary.",
"volume_of_distribution": "Less than 65% of iron is stored in the liver, spleen, and bone marrow, mainly as ferritin and haemosiderin [T28]. The pharmacokinetic properties of ferric compounds vary.",
"route_of_elimination": "Iron is predominantly conserved in the body with no physiologic mechanism for excretion of excess iron from the body, other than blood loss [A32514]. The pharmacokinetic properties of ferric compounds vary.",
"protein_binding": "Fe3+ is converted to Fe2+, which is bound and transported in the body via circulating transferrin. In pathogenic _Neisseria_, ferric iron-binding protein serves as the main periplasmic-protein for ferric iron that has equivalence to human transferrin [A32523]. Once in the cytosol, ferric iron is stored in ferritin where it is associated with hydroxide and phosphate anions [A32525].",
"half_life": "The pharmacokinetic properties of ferric compounds vary.",
"absorption": "Iron absorption and systemic iron homeostasis are regulated by hepcidin, which is a peptide hormone that also regulates the activity of the iron-efflux protein, ferroportin-1 [A32514]. Iron is mostly absorbed in the duodenum and upper jejunum [L2258]. Fe3+ displays low solubility at the neutral pH of the intestine and is mainly be converted to ferrous iron (Fe2+) by ferric reductases [T28], as ferric salts are only half as well absorbed as ferrous salts [L2258]. Once converted in the intestinal lumen, Fe+2 is transported across the apical membrane of enterocytes [A32514]. The absorption rate of non-haem iron is 2-20% [A32514]. Stored iron may be liberated via ferroportin-mediated efflux, which is coupled by reoxidation of Fe2+ to Fe3+ by ceruloplasmin in the serum or hephaestin in the enterocyte membrane [A32524]. Fe3+ subsequently binds to transferrin, which keeps ferric cation in a redox-inert state and delivers it into tissues [A32514].\n\nIt is proposed that there may be separate cellular uptake pathways for ferrous iron and ferric iron. While ferrous iron is primarily carried by divalent metal transporter-1 (DMAT-1), cellular uptake of ferric iron is predominantly mediated by beta-3 integrin and mobilferrin, which is also referred to as calreticulin in some sources as a homologue [A32507]. However, the most dominant pathway in humans is unclear [A32507].",
"cid": "90478690",
"classification": "V",
"indications": "",
"side_effects": "",
"atc_codes": "V03AE08",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0404",
"name": "Thenoyltrifluoroacetone",
"synonyms": "2-Thenoyltrifluoroacetone; 326-91-0; THENOYLTRIFLUOROACETONE; 1,3-Butanedione, 4,4,4-trifluoro-1-(2-thienyl)-; 4,4,4-trifluoro-1-(thiophen-2-yl)butane-1,3-dione; 4,4,4-Trifluoro-1-(2-thienyl)-1,3-butanedione; Perfluoroacetyl(2-thenoyl)methane; alpha-Thenoyltrifluoroacetone; 1-Thenoyl-3,3,3-trifluoroacetone; 4,4,4-Trifluoro-1-(2-thienyl)butane-1,3-dione; .alpha.-Thenoyltrifluoroacetone; UNII-MYQ9MNW7NI; 1,1,1-Trifluoro-3-(2-thenoyl)acetone; NSC 66544; 1-(2-Thenoyl)-3,3,3-trifluoroacetone; 4,4,4-TRIFLUORO-1-THIEN-2-YLBUTANE-1,3-DIONE; MYQ9MNW7NI; EINECS 206-316-7; AI3-31295; TTB; CHEMBL1236433; TXBBUSUXYMIVOS-UHFFFAOYSA-N; Thenoyltrifluoroacetone, 99%; 29463-74-9; MFCD00005445; thenoyl trifluoroacetone; 2-thenoyl trifluoroacetone; ACMC-1CM3H; 2-thenoyl trifluoro acetone; 4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-dione; SCHEMBL195358; ARONIS021027; 1-Thenoyl-3,3-trifluoroacetone; 2-Thenoyltrifluoroacetone, 99%; DTXSID1059812; CTK0I4649; KS-00004CLY; TXBBUSUXYMIVOS-UHFFFAOYSA-; HMS3604B13; BCP21685; NSC66544; ANW-27410; BBL014250; BDBM50248361; HSCI1_000376; NSC-66544; SBB003341; STK020843; 1,1-Trifluoro-3-(2-thenoyl)acetone; AKOS000119762; ZINC100004957; AC-4921; CCG-207997; CS-W020091; DB04795; DS-1137; LS40311; MCULE-7481288995; PS-6790; RTR-013716; SC11823; TRA0096222; KS-00000C17; 1, 4,4,4-trifluoro-1-(2-thienyl)-; AK-46533; BR-46533; P634; SY004998; DB-001234; LS-166686; ST2410209; TR-013716; 1-(Thenoyl-(2'))-3,3,3-trifluoroacetone; AM20090477; EU-0000019; FT-0613433; ST45034729; MFCD00005445 (98%); 26T910; M-5475; 1,3-Butanedione, 4,4,4-trifluoro-1-(thienyl)-; 1-(2-thienyl)-4,4,4-trifluoro-1,3-butanedione; 2-Thenoyltrifluoroacetone, purum, >=97.0% (GC); 4,4,4-Trifluoro-1-(2-thienyl)-1,3-Butanedion; SR-01000388942; 1-THIENYL-4,4,4-TRIFLUORO-1,3-BUTANEDIONE; Q-200324; Q5933755; SR-01000388942-1; 4,4,4-trifluoro-1-thiophen-2-yl-butane-1,3-dione; BRD-K00959089-001-01-4; Z57201518; F0346-3664; 2-Thenoyltrifluoroacetone pound>>4,4,4-trifluoro-1-(thiophen-2-yl)butane-1,3-dione; 2-Thenoyltrifluoroacetone, for spectrophotometric det. of metal ions, >=99.0%; InChI=1/C8H5F3O2S/c9-8(10,11)7(13)4-5(12)6-2-1-3-14-6/h1-3H,4H2",
"trade_name": "",
"abbrev_name": "TTFA",
"description": "Inhibits succinate dehydrogenase; chelating agent; an inhibitor of cellular respiration by blocking the respiratory chain at complex II.",
"molecular_formula": "C8H5F3O2S",
"molecular_weight": "222.19",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "5601",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [
"T002",
"T002007"
],
"function": [
"F020103"
],
"references": [
"RC00919",
"RC00971",
"RC03575",
"RC03954"
]
},
{
"compound_ID": "D0406",
"name": "Thioredoxin",
"synonyms": "Thioredoxin",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "X",
"molecular_weight": "X",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "X",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0407",
"name": "Thiosulfuric acid",
"synonyms": "Thiosulfuric acid; UNII-7K79Y2EKKP; 13686-28-7; 7K79Y2EKKP; CHEBI:29279; sulfurothioic O-acid; dihydroxidooxidosulfidosulfur; Thiosulphate ion; mercaptosulfonic acid; Monosulfanemonosulfonic acid; Hydroxidodioxidosulfidosulfate; Sodium thiosulphate anhydrous; Thiosulfuric acid (H2S2O3); [SO(OH)2S]; CHEMBL1208642; CTK0H7780; DTXSID00159981; ZINC8214573; DB09499; C05529; Q420074",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "H2O3S2",
"molecular_weight": "114.15",
"state": "",
"clearance": "1.86 ± 0.45 ml/min per kg.\n",
"volume_of_distribution": "150 mL/kg.",
"route_of_elimination": "Elimination is primarily renal, approximately 20-50% of exogenously administered thiosulfate is eliminated unchanged via the kidneys\nAntidote (to cyanide poisoning): Primarily as thiocyanate.\nAntineoplastic adjunct: As a nontoxic sodium thiosulfate/cisplatin complex.",
"protein_binding": "Data not found.",
"half_life": "Thiosulfate: 15 to 20 minutes.",
"absorption": "Thiosulfate taken orally is not systemically absorbed. Most of the thiosulfate is oxidized to sulfate or is incorporated into endogenous sulphur compounds; a small proportion is excreted through the kidneys. \nAfter an intravenous injection of 1 g sodium thiosulfate in patients, the reported serum thiosulfate half-life was approximately 20 minutes. However, after an intravenous injection of a substantially higher dose of sodium thiosulfate (150 mg/kg, that is, 9 g for 60 kg body weight) in normal healthy men, the reported elimination half-life was 182 minutes.",
"cid": "24478",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0408",
"name": "Tocopherol",
"synonyms": "Tocopherols; Methyltocols; 7616-22-0; 7,8-Dimethyltocol; o-Xylotocopherol; DL-gamma-tocopherol; E-MIX 80; CCRIS 4506; 7,8-Dimethyltocolo-xylotocopherol; 3,4-Dihydro-2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-ol; 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-; 1406-66-2; 3,4-Dihydro-2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ol; CCRIS 3610; Vitamin E gamma; .gamma.-Tokoferol; .gamma.-Tocopherol; Tocopherol [JAN]; EINECS 231-523-4; Rac-gamma-tocopherol; D-.gamma.-Tocopherol; 2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)chroman-6-ol; gamma-Tocopherol, DL-; SCHEMBL39640; 6-Chromanol, 2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-; 73980-80-0; UNII-R0ZB2556P8; CHEMBL420898; DTXSID5044075; CTK5E2537; QUEDXNHFTDJVIY-UHFFFAOYSA-N; R0ZB2556P8; LS-826; 18-EP2270000A1; 18-EP2270101A1; 18-EP2272822A1; 18-EP2305825A1; 18-EP2308857A1; FT-0626624; FT-0756458; EC 604-195-9; Q27277111; 2,7,8-Trimethyl-2-(4,8,12-trimethyltridecyl)-6-chromanol; 2,7,8-Trimethyl-2-(4,8,12-trimethyltridecyl)-6-chromanol #; TOCOPHEROL (SEE ALSO: D-ALPHA-TOCOPHERYL ACETATE, SUCCINATE); 2,5,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-chromen-6-ol; 2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-ol; 2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-chromen-6-ol; 119-11-9",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C28H48O2",
"molecular_weight": "416.7",
"state": "liquid",
"clearance": "The clearance rate of tocopherol is approximately 0.15 l/h.[A32447]",
"volume_of_distribution": "The apparent volume of distribution of tocopherol is approximately 0.5 ml.[A32447]",
"route_of_elimination": "The pharmacokinetic profile of tocopherol indicates a longer time of excretion for tocopherols when compared to tocotrienols.[A32447] The different conjugated metabolites are excreted in the urine or feces depending on the length of their side-chain.[A32448] Due to their polarity, intermediate-chain metabolites and short-chain metabolites are excreted via urine as glucoside conjugates. A mixture of all the metabolites and precursors can be found in feces. The long-chain metabolites correspond to >60% of the total metabolites in feces. It is estimated that the fecal excretion accounts for even 80% of the administered dose.[A32451]",
"protein_binding": "There has not been described a specific plasma transport protein for tocopherol but it is thought that it is highly bound to lipoproteins such as VLDL, HDL and chylomicrons.[A32451]",
"half_life": "The elimination half-life of tocopherol is approximately 2.6 hours.[A32447]",
"absorption": "The absorption of tocopherol in the digestive tract requires the presence of fat.[L2120] The approximate tmax of the four different isomers of tocopherol is attained in the range of 3-6 hours. When compared with tocotrienols, tocopherols showed a reduced bioavailability. The bioavailability of tocopherols is highly dependent on the type of isomer that is administered where the alpha-tocopherol can present a bioavailability of 36%. This isomer specificity also determines the intestinal permeability in which the gamma-tocopherol presents a very low permeability. After oral administration, the Cmax, AUC and mean residence time of tocopherols showed to be dependent on the isomer and ranged from 590-2915 ng/ml, 3740-10169 ng/ml and 4.85-5.74 h, respectively.[A32447]",
"cid": "14986",
"classification": "A",
"indications": "",
"side_effects": "",
"atc_codes": "A11HA03",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0409",
"name": "Triethylenetetramine",
"synonyms": "TRIETHYLENETETRAMINE; trientine; 112-24-3; Trien; TETA; Tecza; 1,2-Ethanediamine, N,N'-bis(2-aminoethyl)-; Triethylene tetramine; Araldite hardener HY 951; DEH 24; Araldite HY 951; N,N'-Bis(2-aminoethyl)-1,2-ethanediamine; 1,4,7,10-Tetraazadecane; 1,8-Diamino-3,6-diazaoctane; triethylenetetraamine; 3,6-Diazaoctane-1,8-diamine; N,N'-Bis(2-aminoethyl)ethylenediamine; Trientinum [INN-Latin]; NSC 443; Trientina [INN-Spanish]; N,N'-bis(2-aminoethyl)ethane-1,2-diamine; UNII-SJ76Y07H5F; HY 951; 2,2,2-tetramine; CCRIS 6279; Ethylenediamine, N,N'-bis(2-aminoethyl)-; HSDB 1002; EINECS 203-950-6; MFCD00008169; UN2259; CHEMBL609; BRN 0605448; N1,N1'-(Ethane-1,2-diyl)bis(ethane-1,2-diamine); N,N-Bis(2-aminoethyl)-1,2-diaminoethane; AI3-24384; SJ76Y07H5F; CHEBI:39501; 1,2-Ethanediamine, N1,N2-bis(2-aminoethyl)-; VILCJCGEZXAXTO-UHFFFAOYSA-N; (2-aminoethyl)({2-[(2-aminoethyl)amino]ethyl})amine; NCGC00091695-01; NCGC00091695-03; DSSTox_CID_3702; Triethylenetetramine, 60%; DSSTox_RID_77156; DSSTox_GSID_23702; N1,N1'-(Ethane-1,2-diyl)diethane-1,2-diamine; W-109064; Trientinum; Trientina; CAS-112-24-3; (2-aminoethyl){2-[(2-aminoethyl)amino]ethyl}amine; triene; Trientene; 1,6-diazaoctane; EPH 925; Trientine [INN]; 3,8-diamine; Tomography, x-ray computed trientine; triethylene tetraamine; 1,7,10-Tetraazadecane; bmse000773; Texlin 300 (Salt/Mix); ACMC-1C99K; 3,6-Diazaoctanethylenediamin; SCHEMBL15439; WLN: Z2M2M2Z; 4-04-00-01242 (Beilstein Handbook Reference); BIDD:ER0303; BIDD:GT0014; NSC443; SCHEMBL6423840; DTXSID9023702; CTK8A9256; KS-00000WWF; NSC-443; STR03562; Tox21_111162; Tox21_201066; ANW-16423; BDBM50323751; FCH931591; LS-549; SBB058767; STL477736; ZINC19364225; N,N'-Di(2-aminoethyl)ethylenediamine; AKOS006223906; Tox21_111162_1; Triethylenetetramine, >=97.0% (T); DB06824; Ethylenediamine,N'-bis(2-aminoethyl)-; MCULE-3203769500; NCGC00091695-04; NCGC00258619-01; BP-30180; CC-35339; Ethanediamine, N,N'-bis(2-aminoethyl)-; OR323290; SBI-0206814.P001; DB-041060; N,N'-Bis(2-aminoethyl)-1,2-diaminoethane; TC-105168; Triethylenetetramine [UN2259] [Corrosive]; Triethylenetetramine, technical grade, 60%; ST24048686; ST50824040; Triethylenetetramine [UN2259] [Corrosive]; 12T243; C07166; AB00573244_07; N,N''-Bis-(2-amino-ethyl)-ethane-1,2-diamine; 133105-EP2272849A1; 133105-EP2295438A1; C-31298; Q418386; J-018026; N,N''-BIS(2-AMINOETHYL)-1,2-ETHANEDIAMINE",
"trade_name": "trien, trientine, Syprine",
"abbrev_name": "TETA",
"description": "CuII-selective chelator",
"molecular_formula": "C6H18N4",
"molecular_weight": "146.23",
"state": "liquid",
"clearance": "",
"volume_of_distribution": "It is widely distributed in tissues with relatively high concentrations measured in liver, heart, and kidney. A recent study reported that the central and peripheral volumes of distribution were 393 L and 252 L, respectively [A19333].",
"route_of_elimination": "The unchanged drug and two acetylated metabolites, N1-acetyltriethylenetetramine (MAT) and N1,N10-diacetyltriethylenetetramine (DAT), are mainly excreted in the urine. About 1% of the administered trientine and about 8% of the biotransformed trientine metabolite, acetyltrien, ultimately appear in the urine. The amounts of urinary copper, zinc and iron increase in parallel with the amount of trientine excreted in the urine [A19336]. Unchanged drug is also excreted in feces after oral administration.",
"protein_binding": "",
"half_life": "The plasma elimination half life of TETA in healthy volunteers and Wilson's disease patients ranges from 1.3 to 4 hours. The metabolites are expected to be longer than the parent drug.",
"absorption": "It is poorly absorbed from the gastrointestinal tract with a bioavailability of 8 to 30% and and what is absorbed is metabolized and inactivated. 5% to 18% that is systemically absorbed in humans is reported to be extensively metabolized [A18804]. The time to reach peak concentration (Tmax) for humans occur between 0.8 to 4 hours [A19333].",
"cid": "5565",
"classification": "A",
"indications": "",
"side_effects": "",
"atc_codes": "A16AX12",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0411",
"name": "Tyrothricin",
"synonyms": "tyrothricin; Dermotricine; Bactratycin; Coltirot; Martricin; Ginotricina; Hydrotricine; Pharothricetten; Rinotricina; Solutricine; Biothricin; Triciderm; Tyroderm; Tyrosur; Tyrozets; Tyrex; Dubos crude crystals; Intraderm tyrothricin; Caswell No. 900A; Tyri 10; Tirotricina [INN-Spanish]; Tyrothricine [INN-French]; Tyrothricinum [INN-Latin]; EINECS 215-771-0; EPA Pesticide Chemical Code 006311; 1404-88-2; Tirotricina; Tyrothricine; Tyrothricinum; An antibacterial substance produced by the growth of Bacillus brevis Dubos (Fam. Bacteriaceae); Tyrothricin [INN:BAN]; Gramicidin A & Tyrocidine A; Tyrothricin [USP:INN:BAN]; UNII-877376V2XW; CHEMBL577736; 877376V2XW; LS-158334; 3-[(3R,6S,9S,12S,15S,17S,20S,22R,25S,28S)-20-(2-amino-2-oxo-ethyl)-9-(3-aminopropyl)-3,22,25-tribenzyl-15-[(4-hydroxyphenyl)methyl]-6-isobutyl-12-isopropyl-2,5,8,11,14,18,21,24,27-nonaoxo-1,4,7,10,13,16,19,23,26-nonazabicyclo[26.3.0]hentriacontan-17-yl]propanoic acid; Cyclic (-Val-Orn-Leu-D-Phe-Pro-Phe-D-Phe-Asn-Glu-Tyr-) Tyrocidine A & (HCO-Val-Gly-Ala-D-Leu-Ala-D-Val-Val-D-Val-Trp-D-Leu-Trp-D-Leu-Trp-D-Leu-Trp-NHCH2CH2OH, ILe-Gly-Ala-D-Leu-Ala-D-Val-Val-D-Val-Trp-D-Leu-Trp-D-Leu-Trp-D-Leu-Trp-NHCH2CH2OH) Gramicidin A",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C65H85N11O13",
"molecular_weight": "1228.4",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "The lack of water solubility prevents absorption of tyrothricin through the skin. It is not used through other routes due to toxicity concerns [A32843].",
"cid": "452550",
"classification": "D; S; R",
"indications": "",
"side_effects": "",
"atc_codes": "D06AX08; R02AB02; S01AA05",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC02184",
"RC02805",
"RC03426"
]
},
{
"compound_ID": "D0412",
"name": "Ubidecarenone",
"synonyms": "a 1,4-benzoquinone; powerful antioxidant; a component of the electron transport chain ; powerful antioxidant that removes free radicals, inhibits the initiation and propagation of lipid peroxidation in cellular biomembranes, and aids in the regeneration of alpha-tocopherol",
"trade_name": "coenzyme Q10",
"abbrev_name": "Q10; CoQ10",
"description": "a 1,4-benzoquinone; powerful antioxidant; a component of the electron transport chain",
"molecular_formula": "C59H90O4",
"molecular_weight": "863.3",
"state": "solid",
"clearance": "In preclinical studies with intravenous administration of ubidecarenone, it is reported a total clearance of 1.18 ml h/kg which was indicative of a prolonged elimination.[A31415]",
"volume_of_distribution": "Ubidecarenone is distributed to the various tissues of the body and it is able to enter the brain.[L1065] In preclinical studies with intravenous administration of ubidecarenone, it is reported a volume of distribution of 20.4 L/kg which reflects its ability to penetrate extensively into organs and tissues.[A31415] AS a general rule, tissues with high-energy requirements or metabolic activity tend to presents higher amounts of ubidecarenone, these organs can be heart, kidney, liver and muscle.[A31416]\n",
"route_of_elimination": "The main elimination route of ubidecarenone is through the bile. After its oral administration, over 60% of the dose is excreted in the feces in the form of unchanged ubidecarenone and a small fraction of the metabolites.[L1065, A31416] In the urine, ubidecarenone is bound to saposin B protein and represents only 8.3% of the total administered dose.[A31416]",
"protein_binding": "In the blood, ubidecarenone is split into the various lipoprotein particles including LDL and VLDL.[L1065] The plasma concentration of ubidecarenone is highly dependent on the presence of plasma lipoproteins and about 95% of the administered form is found in the reduced form.[A31416]",
"half_life": "The pharmacokinetic properties may vary between different brands but studies have reported a half-life of ubidecarenone of 21.7 h.[A31414]",
"absorption": "Ubidecarenone is absorbed from the small intestine into the lymphatics and then it can enter the blood. The hydrophobicity and large molecular weight limit its absorption making it very poor and variable depending on the food intake and the number of lipids presented in the food. The absorption is lower in the presence of an empty stomach and greater in presence of high lipid food diet. The daily dosage of ubidecarenone presents the reach of maximal serum concentration by reaching a plateau after three weeks.[L1065] The pharmacokinetic properties may vary between different brands but studies have reported an AUC of 11.51 mcg h/ml and a Cmax of 0.32 mcg/ml at a time of 7.9 h.[A31414]",
"cid": "5281915",
"classification": "C",
"indications": "",
"side_effects": "",
"atc_codes": "C01EB09",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F050501"
],
"references": [
"RC03695"
]
},
{
"compound_ID": "D0413",
"name": "Venetoclax",
"synonyms": "Venetoclax; ABT-199; 1257044-40-8; Venclexta; GDC-0199; ABT199; ABT 199; UNII-N54AIC43PW; GDC 0199; N54AIC43PW; 4-[4-[[2-(4-Chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-N-[[3-nitro-4-[[(tetrahydro-2H-pyran-4-yl)methyl]amino]phenyl]sulfonyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-benzamide; 4-[4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide; ABT-199 (GDC-0199); Venetoclax (ABT-199, GDC-0199); AK170450; Venetoclax (ABT-199); 2-(1H-Pyrrolo[2,3-b]pyridin-5-yloxy)-4-(4-((2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-enyl)methyl)piperazin-1-yl)-N-(3-nitro-4-((tetrahydro-2H-pyran-4-yl)methy; venclyxto; BDBM189459; 4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-(3-nitro-4-{[(oxan-4-yl)methyl]amino}benzene-1-sulfonyl)-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide; Venetoclax [USAN:INN]; Venclexta (TN); Venetoclax; Abt-199; Venetoclax(ABT-199); C45H50ClN7O7S; MLS006010298; SCHEMBL523816; Venetoclax (JAN/USAN/INN); GTPL8318; CHEMBL3137309; SCHEMBL19236295; BDBM60828; AOB5080; DTXSID30154863; EX-A168; CHEBI:133021; HMS3653J06; HMS3745E07; LQT-B00127; BCP06811; BDBM50162774; AKOS025289539; ZINC150338755; CS-1155; DB11581; KS-1470; SB16499; TRA0049558; KS-0000002C; NCGC00345789-01; NCGC00345789-10; 4-(4-((2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl)methyl)piperazin-1-yl)-N-((3-nitro-4-((tetrahydro-2H-pyran-4-ylmethyl)amino)phenyl)sulfonyl)-2-(1H-pyrrolo(2,3-b)pyridin-5-yloxy)benzamide; AC-28754; DA-35360; HY-15531; QC-11704; SMR004701366; ZINC000150338755; FT-0699586; S8048; SW219672-1; X3609; J3.516.625D; D10679; US9174982, 5; W-6008; Z-3166; US9174982, 369; J-005269; Q23671272; 2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazin-1-yl)-N-((3-nitro-4-(((tetrahydro-2H-pyran-4-yl)methyl)amino)phenyl; 2-((1H-Pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazin-1-yl)-N-((3-nitro-4-(((tetrahydro-2H-pyran-4-yl)methyl)amino)phenyl)sulfonyl)benzamide; 4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-cyclohexen-1-yl]methyl]piperazin-1-yl]-~{N}-[4-(oxan-4-ylmethylamino)-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide; ABT-199|||GDC 0199|||4-[4-[[2-(4-Chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide; Benzamide, 4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-N-[[3-nitro-4-[[(tetrahydro-2H-pyran-4-yl)methyl]amino]phenyl]sulfonyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-",
"trade_name": "Venclexta,Venclyxto",
"abbrev_name": "",
"description": "BCL-2 inhibitor; anticancer drug",
"molecular_formula": "C45H50ClN7O7S",
"molecular_weight": "868.4",
"state": "solid",
"clearance": "Mainly hepatic [FDA label].",
"volume_of_distribution": "The population estimate for apparent volume of distribution (Vdss/F) of venetoclax ranged from 256-321 L [FDA label].",
"route_of_elimination": "After single oral administration of 200 mg radiolabeled [14C]-venetoclax dose to healthy subjects, >99.9% of the dose was found in feces and <0.1% of the dose was excreted in urine within 9 days, suggesting that hepatic elimination is responsible for the clearance of venetoclax from systemic circulation. Unchanged venetoclax accounted for 20.8% of the radioactive dose excreted in feces [FDA label].",
"protein_binding": "Venetoclax is highly bound to human plasma protein with unbound fraction in plasma <0.01 across a concentration range of 1-30 µM (0.87-26 µg/mL). The mean blood-to-plasma ratio was 0.57 [FDA label].",
"half_life": "The half-life of venetoclax is reported to be 19-26 hours, after administration of a single 50-mg dose [A40022], [FDA label].",
"absorption": "Following several oral administrations after a meal, the maximum plasma concentration of venetoclax was reached 5-8 hours after the dose [A18567]. Venetoclax steady state AUC (area under the curve) increased proportionally over the dose range of 150-800 mg. After a low-fat meal, venetoclax mean (± standard deviation) steady-state Cmax was 2.1 ± 1.1 μg/mL and AUC0-24 was 32.8 ± 16.9 μg•h/mL at the 400 mg once daily dose [FDA label]. \n\nWhen compared with the fasted state, venetoclax exposure increased by 3.4 times when ingested with a low-fat meal and 5.2 times with a high-fat meal. When comparing low versus high fat, the Cmax and AUC were both increased by 50% when ingested with a high-fat meal. The FDA label indicataes that venetoclax should be taken with food [A40022], [FDA label].",
"cid": "49846579",
"classification": "L",
"indications": "",
"side_effects": "",
"atc_codes": "L01XX52",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0414",
"name": "Verteporfin",
"synonyms": "Visudyne; BPD verteporfin; CL 318,952; verteporphin; (+-)-trans-3,4-Dicarboxy-4,4a-dihydro-4a,8,14,19-tetramethyl-18-vinyl-23H,25H-benzo(b)porphine-9,13-dipropionic acid, 3,4,9-trimethyl ester mixture with (+-)-trans-3,4-dicarboxy-4,4a-dihydro-4a,8,14,19-tetramethyl-18-vinyl-23H,25H-benzo(b)porphine-9,13-dipropionic acid, 3,4,13-trimethyl ester; (2R,2(1)S)-8-ethenyl-2(1),2(2)-bis(methoxycarbonyl)-17-(3-methoxy-3-oxopropyl)-2,7,12,18-tetramethyl-2,2(1)-dihydrobenzo[b]porphyrin-13-propanoic acid; (4S,4aR)-18-ethenyl-4,4a-dihydro-3,4-bis(methoxycarbonyl)-4a,8,14,19-tetramethyl-23H,25H-benzo[b]porphine-9,13-dipropanoic acid 9-methyl ester; 23H,25H-Benzo(b)porphine-9,13-dipropanoic acid, 18-ethenyl-4,4a-dihydro-3,4-bis(methoxycarbonyl)-4a,8,14,19-tetramethyl-, monomethyl ester, trans-; 3-[(1Z,6Z,12Z,17Z,23S,24R)-14-ethenyl-22,23-bis(methoxycarbonyl)-5-(3-methoxy-3-oxopropyl)-4,10,15,24-tetramethyl-25,26,27,28-tetraazahexacyclo[16.6.1.1(3,6).1(8,11).113,16.019,24]octacosa-1,3(28),4,6,8,10,12,14,16(26),17,19,21-dodecaen-9-yl]propanoic acid; Verteporfin [USAN:INN]; Verteporfina; Verteporfine; Verteporfinum; Verteporfin [USAN:USP:INN:BAN]; Bpd-ma(sub C); Verteporfin C5 isomer; SCHEMBL6219; CHEMBL2052016; CHEMBL3822934; SCHEMBL14257223; CHEBI:60775; AOB5623; DTXSID30892511; NOCAS_892511; 133513-12-9; 2C41H42N4O8; EX-A1344; s1786; DB00460; NCGC00346712-01; 18-ethenyl-4,4a-dihydro-3,4-bis(methoxycarbonyl)-4a,8,14,19-tetramethyl-23H,25H-benzo(b)porphine-9,13-dipropanoic acid monomethyl ester; AB2000292; CL-315555; LS-172730; LS-187701; SW219955-1; J2.000.745A; AB01566862_01; J-005685; UNII-0X9PA28K43 component YTZALCGQUPRCGW-MXVXOLGGSA-N; UNII-WU713D62N9 component YTZALCGQUPRCGW-MXVXOLGGSA-N; (2R,21S)-2,21-Dihydro-8-vinyl-2,7,12,18-tetramethyl-17-[2-(methoxycarbonyl)ethyl]-21,22-bis(methoxycarbonyl)-21H,23H-benzo[b]porphyrin-13-propionic acid; (2R,21S)-8-Ethenyl-2,21-dihydro-13-(3-hydroxy-3-oxopropyl)-17-(3-methoxy-3-oxopropyl)-2,7,12,18-tetramethyl-22H,24H-benzo[b]porphyrin-21,22-dicarboxylic acid dimethyl ester; (4R,4aS)-18-Ethenyl-4,4a-dihydro-3,4-bis(methoxycarbonyl)-4a,8,14,19-tetramethyl-24H,26H-benzo[b]porphine-9,13-dipropanoic acid monomethyl ester; 23H,25H-Benzo(b)porphine-9,13-dipropanoic acid, 18-ethenyl-4,4a-dihydro-3,4-bis(methoxycarbonyl)-4a,8,14,19-tetramethyl-, 9-monomethyl ester, trans-; 9-Methyl-trans-18-ethenyl-4,4a-dihydro-3,4-bis(methoxycarbonyl)-4a,8,14,19-tetramethyl-23H,25H-benzo(b)porphine-9,13-dipropanoate,DL-; verteporfin (product), verteporfin (product), verteporfin (substance), verteporfin (substance), bpd-MA, bpd-MA, novartis brand of verteporfin, novartis brand of verteporfin",
"trade_name": "Visudyne",
"abbrev_name": "",
"description": "a benzoporphyrin derivative",
"molecular_formula": "C41H42N4O8",
"molecular_weight": "718.8",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "Elimination is by the fecal route, with less than 0.01% of the dose recovered in urine.",
"protein_binding": "",
"half_life": "Following intravenous infusion, verteporfin exhibits a bi-exponential elimination with a terminal elimination half-life of approximately 5-6 hours. Mild hepatic insufficiency increases half-life by approximately 20%.",
"absorption": "",
"cid": "5362420",
"classification": "S",
"indications": "Age-related macular degeneration; Choroidal neovascularisation; Histoplasmosis",
"side_effects": "",
"atc_codes": "S01LA01",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC02187",
"RC02808",
"RC03429"
]
},
{
"compound_ID": "D0415",
"name": "Zinc",
"synonyms": "Zinc; 7440-66-6; Zinc dust; cinc; Zinc(1+); zincide; Merrillite; Rheinzink; Jasad; Blue powder; Granular zinc; Zinc powder; Zinc, elemental; Emanay zinc dust; Asarco L 15; Zinc (fume or dust); Zn; zincum; Zinc, ion (Zn1+); Zink; Lead refinery vacuum zinc; Zinc(1-); UNII-J41CSQ7QDS; Zinc (metallic); CCRIS 1582; LS 2; LS 6; zinc(0); CHEBI:30185; Zinc (dust or fume); HSDB 1344; EINECS 231-175-3; MFCD00011291; UN1435; UN1436; J41CSQ7QDS; 30Zn; CHEMBL1201279; CHEBI:27363; Zinc, SAJ first grade; Zinc, 99+%, mossy; Zinc flake, -325 mesh; Zinc, granular, 20 mesh; Zinc, granular, 30 mesh; Zinc and compounds; Zinc, p.a., 99.8%; Zincum metallicum; Zinc, suitable for arsenic determination; Zinc, 99.995%, (trace metal basis), powder; ZINC, DUST; Zinc, ion (Zn 1-); Zinc, 99.999%, (trace metal basis), powder, 40 mesh; Dihydridezinc; Zinc, 98+%, dust (stable acc. to UN classification class 4); zinc anion; zinc atom; Zinc ashes; Zinc, lump, 10 mm max. lump size, weight 100 g, purity 99.99%; Zinc, lump, 10 mm max. lump size, weight 200 g, purity 99.99%; zinc(I) cation; Zinc, Mossy; zincide(-I); zincide(1-); Zinc, purum, powder; zinc(1+) ion; zinc ion (1+); Zinc,free from arsenic; Zinc powder or zinc dust; Zinc, JIS special grade; Nano Zinc metallic powder; Zinc pieces 2-14 mesh; Zinc powder 6-9 microns; ACMC-1BKT7; Epitope ID:114075; EC 231-175-3; Zinc, mossy, >=99%; Zinc dust, <10 micrometers; KSC377I7L; Zinc, 99.5%; Zn(+); Zn(-); Zn(0); Zinc metal, NIST SRM 683; Zinc, p.a., 99.9%; DTXSID7035012; Zinc, LR, dust, >=90%; CHEBI:37254; CHEBI:37255; CTK2H7475; KS-00000UNQ; Zinc, shot, 99.9999%; Zinc powder or zinc dust [UN1436] [Dangerous when wet]; Zinc, LR, granular, >=99%; HCHKCACWOHOZIP-UHFFFAOYSA-N; High-purity zinc, NIST SRM 682; Zinc, AR, dust, >=99.5%; ANW-56394; BDBM50259154; Zinc, dust, <10 mum, >=98%; AKOS015907403; Zinc, SAJ first grade, >=85.0%; DB01593; Zinc, SAJ special grade, >=90.0%; TRA-0186379; Zinc, granular, -10-+50 mesh, ACS; BP-11393; SC-81523; Zinc Powder 325 mesh High Grade Material; Zinc, mossy, 99.99% trace metals basis; AB1004144; LS-162822; RT-000088; Zinc, granular, 20-30 mesh, ACS reagent; FT-0688094; Y1301; Zinc ashes [UN1435] [Dangerous when wet]; Zinc, foil, thickness 0.1 mm, 99.999%; Zinc, foil, thickness 0.5 mm, 99.999%; Zinc, granular, -30 mesh+/-100, 99%; Zinc ashes [UN1435] [Dangerous when wet]; Zinc, ingot, 99.9999 %, high purity 6N; Zinc, wire, diam. 0.25 mm, 99.999%; 10 grams of Rieke(R) Zinc in 100mL of THF; 50 grams of Rieke(R) Zinc in 500mL of THF; Zinc, ACS reagent, -30-+100 mesh, granular; Zinc, shot, 5 mm, 99.999% trace metals basis; Zinc, foil, 4mm disks, thickness 0.01mm, 99.9%; Zinc, foil, 4mm disks, thickness 0.02mm, 99.9%; Zinc, foil, 6mm disks, thickness 0.01mm, 99.9%; Zinc, foil, 6mm disks, thickness 0.02mm, 99.9%; Zinc, foil, 8mm disks, thickness 0.01mm, 99.9%; Zinc, foil, 8mm disks, thickness 0.02mm, 99.9%; Zinc, shot, <12 mm, 99.99% trace metals basis; Zinc, wire reel, 1m, diameter 1.0mm, 99.99+%; Zinc, wire reel, 1m, diameter 1.0mm, 99.999%; Zinc, wire reel, 1m, diameter 2.0mm, 99.99+%; Zinc, wire reel, 2m, diameter 1.0mm, 99.99+%; Zinc, wire reel, 2m, diameter 1.0mm, 99.999%; Zinc, wire reel, 2m, diameter 2.0mm, 99.99+%; Zinc, wire reel, 5m, diameter 1.0mm, 99.99+%; Zinc, wire reel, 5m, diameter 2.0mm, 99.99+%; Q27117082; Q27117083; Zinc freezing point standard 419.527 C, NIST SRM; Zinc, foil, 10mm disks, thickness 0.01mm, 99.9%; Zinc, foil, 10mm disks, thickness 0.02mm, 99.9%; Zinc, foil, 15mm disks, thickness 0.01mm, 99.9%; Zinc, foil, 15mm disks, thickness 0.02mm, 99.9%; Zinc, foil, 4mm disks, thickness 0.005mm, 99.9%; Zinc, foil, 4mm disks, thickness 0.015mm, 99.9%; Zinc, foil, 6mm disks, thickness 0.005mm, 99.9%; Zinc, foil, 6mm disks, thickness 0.015mm, 99.9%; Zinc, foil, 8mm disks, thickness 0.005mm, 99.9%; Zinc, foil, 8mm disks, thickness 0.015mm, 99.9%; Zinc, pieces, 2-14 mesh, 99.9% trace metals basis; Zinc, wire reel, 0.1m, diameter 1.0mm, 99.999%; Zinc, wire reel, 0.2m, diameter 1.0mm, 99.999%; Zinc, wire reel, 0.5m, diameter 1.0mm, 99.99+%; Zinc, wire reel, 0.5m, diameter 1.0mm, 99.999%; Zinc, wire reel, 0.5m, diameter 2.0mm, 99.99+%; Zinc, wire reel, 10m, diameter 1.0mm, 99.99+%; Zinc, wire reel, 10m, diameter 2.0mm, 99.99+%; Zinc, wire reel, 1m, diameter 6.35mm, 99.99+%; Zinc standard solution, for AAS, 1 mg-ml Zn in 2% HCl; Zinc, foil, 10mm disks, thickness 0.0025mm, 99.9%; Zinc, foil, 10mm disks, thickness 0.005mm, 99.9%; Zinc, foil, 10mm disks, thickness 0.015mm, 99.9%; Zinc, foil, 15mm disks, thickness 0.0025mm, 99.9%; Zinc, foil, 15mm disks, thickness 0.005mm, 99.9%; Zinc, foil, 15mm disks, thickness 0.015mm, 99.9%; Zinc, foil, 4mm disks, thickness 0.0025mm, 99.9%; Zinc, foil, 6mm disks, thickness 0.0025mm, 99.9%; Zinc, foil, 8mm disks, thickness 0.0025mm, 99.9%; Zinc, granular, 20-30 mesh, ACS reagent, >=99.8%; Zinc, powder, <150 mum, 99.995% trace metals basis; Zinc, wire reel, 0.1m, diameter 6.35mm, 99.99+%; Zinc, wire reel, 0.2m, diameter 6.35mm, 99.99+%; Zinc, wire reel, 0.5m, diameter 6.35mm, 99.99+%; Zinc, wire reel, 1m, diameter 0.05mm, as drawn, 99%; Zinc, wire reel, 2m, diameter 0.05mm, as drawn, 99%; Zinc, wire reel, 5m, diameter 0.05mm, as drawn, 99%; Zinc powder or zinc dust [UN1436] [Dangerous when wet]; Zinc, ACS reagent, -30-+100 mesh, >=99.8%, granular; Zinc, foil, thickness 0.25 mm, 99.9% trace metals basis; Zinc, foil, thickness 1.0 mm, 99.99% trace metals basis; Zinc, granular, -10-+50 mesh, >=99.8%, ACS reagent; Zinc, rod, 19 mm diameter, length 100 mm, purity 99.9%; Zinc, rod, 19 mm diameter, length 200 mm, purity 99.9%; Zinc, rod, 19 mm diameter, length 900 mm, purity 99.9%; Zinc, rod, length 500 mm, 19 mm diameter, purity 99.9%; Zinc, sticks, diam. 7-10 mm, 99.97% trace metals basis; Zinc, wire reel, 100m, diameter 1.0mm, extruded, 99.9%; Zinc, wire reel, 100m, diameter 2.0mm, extruded, 99.9%; Zinc, wire reel, 10m, diameter 0.025mm, as drawn, 99%; Zinc, wire reel, 10m, diameter 0.05mm, as drawn, 99%; Zinc, wire reel, 10m, diameter 0.125mm, as drawn, 99%; Zinc, wire reel, 10m, diameter 2.0mm, extruded, 99.9%; Zinc, wire reel, 10m, diameter 3.0mm, extruded, 99.9%; Zinc, wire reel, 1m, diameter 0.025mm, as drawn, 99%; Zinc, wire reel, 1m, diameter 0.125mm, as drawn, 99%; Zinc, wire reel, 200m, diameter 1.0mm, extruded, 99.9%; Zinc, wire reel, 20m, diameter 1.0mm, extruded, 99.9%; Zinc, wire reel, 20m, diameter 2.0mm, extruded, 99.9%; Zinc, wire reel, 20m, diameter 3.0mm, extruded, 99.9%; Zinc, wire reel, 25m, diameter 0.05mm, as drawn, 99%; Zinc, wire reel, 25m, diameter 0.125mm, as drawn, 99%; Zinc, wire reel, 2m, diameter 0.025mm, as drawn, 99%; Zinc, wire reel, 2m, diameter 0.125mm, as drawn, 99%; Zinc, wire reel, 2m, diameter 2.0mm, extruded, 99.9%; Zinc, wire reel, 2m, diameter 3.0mm, extruded, 99.9%; Zinc, wire reel, 500m, diameter 1.0mm, extruded, 99.9%; Zinc, wire reel, 50m, diameter 1.0mm, extruded, 99.9%; Zinc, wire reel, 50m, diameter 2.0mm, extruded, 99.9%; Zinc, wire reel, 50m, diameter 3.0mm, extruded, 99.9%; Zinc, wire reel, 5m, diameter 0.025mm, as drawn, 99%; Zinc, wire reel, 5m, diameter 0.125mm, as drawn, 99%; Zinc, wire reel, 5m, diameter 1.0mm, extruded, 99.9%; Zinc, wire reel, 5m, diameter 2.0mm, extruded, 99.9%; Zinc, wire reel, 5m, diameter 3.0mm, extruded, 99.9%; Zinc, wire, diam. 1.0 mm, 99.999% trace metals basis; Zinc, foil, 100x100mm, thickness 3mm, as rolled, 99.99+%; Zinc, foil, 100x100mm, thickness 6mm, as rolled, 99.99+%; Zinc, foil, 1m coil, thickness 0.05mm, as rolled, 99.95+%; Zinc, foil, 1m coil, thickness 0.15mm, as rolled, 99.95+%; Zinc, foil, 1m coil, thickness 0.1mm, as rolled, 99.95+%; Zinc, foil, 1m coil, thickness 0.20mm, as rolled, 99.95+%; Zinc, foil, 1m coil, thickness 0.25mm, as rolled, 99.95+%; Zinc, foil, 1m coil, thickness 0.35mm, as rolled, 99.95+%; Zinc, foil, 1m coil, thickness 0.5mm, as rolled, 99.95+%; Zinc, foil, 1m coil, thickness 1.0mm, as rolled, 99.95+%; Zinc, foil, 200x200mm, thickness 0.5mm, as rolled, 99.7%; Zinc, foil, 200x200mm, thickness 1.0mm, as rolled, 99.7%; Zinc, foil, 25x25mm, thickness 0.1mm, as rolled, 99.95+%; Zinc, foil, 25x25mm, thickness 0.5mm, as rolled, 99.95+%; Zinc, foil, 25x25mm, thickness 0.5mm, as rolled, 99.99+%; Zinc, foil, 25x25mm, thickness 1.0mm, as rolled, 99.95+%; Zinc, foil, 25x25mm, thickness 1.0mm, as rolled, 99.99+%; Zinc, foil, 25x25mm, thickness 1.5mm, as rolled, 99.95+%; Zinc, foil, 25x25mm, thickness 2.0mm, as rolled, 99.95+%; Zinc, foil, 25x25mm, thickness 3mm, as rolled, 99.99+%; Zinc, foil, 25x25mm, thickness 6mm, as rolled, 99.99+%; Zinc, foil, 2m coil, thickness 0.05mm, as rolled, 99.95+%; Zinc, foil, 2m coil, thickness 0.15mm, as rolled, 99.95+%; Zinc, foil, 2m coil, thickness 0.1mm, as rolled, 99.95+%; Zinc, foil, 2m coil, thickness 0.20mm, as rolled, 99.95+%; Zinc, foil, 2m coil, thickness 0.25mm, as rolled, 99.95+%; Zinc, foil, 2m coil, thickness 0.35mm, as rolled, 99.95+%; Zinc, foil, 2m coil, thickness 0.5mm, as rolled, 99.95+%; Zinc, foil, 2m coil, thickness 1.0mm, as rolled, 99.95+%; Zinc, foil, 4mm disks, thickness 0.1mm, as rolled, 99.95+%; Zinc, foil, 4mm disks, thickness 0.5mm, as rolled, 99.95+%; Zinc, foil, 4mm disks, thickness 0.5mm, as rolled, 99.99+%; Zinc, foil, 4mm disks, thickness 1.0mm, as rolled, 99.95+%; Zinc, foil, 4mm disks, thickness 1.0mm, as rolled, 99.99+%; Zinc, foil, 500x500mm, thickness 0.5mm, as rolled, 99.7%; Zinc, foil, 500x500mm, thickness 1.0mm, as rolled, 99.7%; Zinc, foil, 50x50mm, thickness 0.1mm, as rolled, 99.95+%; Zinc, foil, 50x50mm, thickness 0.5mm, as rolled, 99.95+%; Zinc, foil, 50x50mm, thickness 0.5mm, as rolled, 99.99+%; Zinc, foil, 50x50mm, thickness 1.0mm, as rolled, 99.95+%; Zinc, foil, 50x50mm, thickness 1.0mm, as rolled, 99.99+%; Zinc, foil, 50x50mm, thickness 1.5mm, as rolled, 99.95+%; Zinc, foil, 50x50mm, thickness 2.0mm, as rolled, 99.95+%; Zinc, foil, 50x50mm, thickness 3mm, as rolled, 99.99+%; Zinc, foil, 50x50mm, thickness 6mm, as rolled, 99.99+%; Zinc, foil, 5m coil, thickness 0.05mm, as rolled, 99.95+%; Zinc, foil, 5m coil, thickness 0.15mm, as rolled, 99.95+%; Zinc, foil, 5m coil, thickness 0.25mm, as rolled, 99.95+%; Zinc, foil, 5m coil, thickness 0.5mm, as rolled, 99.95+%; Zinc, foil, 6mm disks, thickness 0.1mm, as rolled, 99.95+%; Zinc, foil, 6mm disks, thickness 0.5mm, as rolled, 99.95+%; Zinc, foil, 6mm disks, thickness 0.5mm, as rolled, 99.99+%; Zinc, foil, 6mm disks, thickness 1.0mm, as rolled, 99.95+%; Zinc, foil, 6mm disks, thickness 1.0mm, as rolled, 99.99+%; Zinc, foil, 8mm disks, thickness 0.1mm, as rolled, 99.95+%; Zinc, foil, 8mm disks, thickness 0.5mm, as rolled, 99.95+%; Zinc, foil, 8mm disks, thickness 0.5mm, as rolled, 99.99+%; Zinc, foil, 8mm disks, thickness 1.0mm, as rolled, 99.95+%; Zinc, foil, 8mm disks, thickness 1.0mm, as rolled, 99.99+%; Zinc, foil, thickness 0.25 mm, 99.999% trace metals basis; Zinc, rod, 10.0 mm diameter, length 100 mm, purity 99.9%; Zinc, rod, 10.0 mm diameter, length 1000 mm, purity 99.9%; Zinc, rod, 10.0 mm diameter, length 200 mm, purity 99.9%; Zinc, rod, 10.0 mm diameter, length 500 mm, purity 99.9%; Zinc, rod, 12.0 mm diameter, length 100 mm, purity 99.9%; Zinc, rod, 12.0 mm diameter, length 1000 mm, purity 99.9%; Zinc, rod, 12.0 mm diameter, length 200 mm, purity 99.9%; Zinc, rod, 12.0 mm diameter, length 500 mm, purity 99.9%; Zinc, rod, 7.62 mm diameter, length 100 mm, purity 99.9%; Zinc, rod, 7.62 mm diameter, length 1000 mm, purity 99.9%; Zinc, rod, 7.62 mm diameter, length 200 mm, purity 99.9%; Zinc, rod, 7.62 mm diameter, length 500 mm, purity 99.9%; Zinc, wire reel, 0.5m, diameter 0.5mm, as drawn, 99.99+%; Zinc, wire reel, 10m, diameter 0.25mm, as drawn, 99.99+%; Zinc, wire reel, 10m, diameter 0.5mm, as drawn, 99.99+%; Zinc, wire reel, 1m, diameter 0.5mm, as drawn, 99.99+%; Zinc, wire reel, 25m, diameter 0.25mm, as drawn, 99.99+%; Zinc, wire reel, 2m, diameter 0.5mm, as drawn, 99.99+%; Zinc, wire reel, 50m, diameter 0.25mm, as drawn, 99.99+%; Zinc, wire reel, 5m, diameter 0.25mm, as drawn, 99.99+%; Zinc, wire reel, 5m, diameter 0.5mm, as drawn, 99.99+%; Zinc (impurities), manufactured by MBH Analytical Ltd (41X Z2); Zinc, foil, 0.2m coil, thickness 0.025mm, as rolled, 99.99+%; Zinc, foil, 0.3m coil, thickness 0.05mm, as rolled, 99.95+%; Zinc, foil, 0.3m coil, thickness 0.075mm, as rolled, 99.95+%; Zinc, foil, 0.3m coil, thickness 0.125mm, as rolled, 99.95+%; Zinc, foil, 0.3m coil, thickness 0.15mm, as rolled, 99.95+%; Zinc, foil, 0.3m coil, thickness 0.175mm, as rolled, 99.95+%; Zinc, foil, 0.3m coil, thickness 0.1mm, as rolled, 99.95+%; Zinc, foil, 0.3m coil, thickness 0.25mm, as rolled, 99.95+%; Zinc, foil, 0.3m coil, thickness 0.5mm, as rolled, 99.95+%; Zinc, foil, 0.3m coil, thickness 1.0mm, as rolled, 99.95+%; Zinc, foil, 0.5m coil, thickness 0.025mm, as rolled, 99.95+%; Zinc, foil, 0.5m coil, thickness 0.025mm, as rolled, 99.99+%; Zinc, foil, 0.5m coil, thickness 0.05mm, as rolled, 99.95+%; Zinc, foil, 0.5m coil, thickness 0.075mm, as rolled, 99.95+%; Zinc, foil, 0.5m coil, thickness 0.125mm, as rolled, 99.95+%; Zinc, foil, 0.5m coil, thickness 0.15mm, as rolled, 99.95+%; Zinc, foil, 0.5m coil, thickness 0.175mm, as rolled, 99.95+%; Zinc, foil, 0.5m coil, thickness 0.1mm, as rolled, 99.95+%; Zinc, foil, 0.5m coil, thickness 0.20mm, as rolled, 99.95+%; Zinc, foil, 0.5m coil, thickness 0.25mm, as rolled, 99.95+%; Zinc, foil, 0.5m coil, thickness 0.35mm, as rolled, 99.95+%; Zinc, foil, 0.5m coil, thickness 0.5mm, as rolled, 99.95+%; Zinc, foil, 0.5m coil, thickness 1.0mm, as rolled, 99.95+%; Zinc, foil, 0.5m coil, thickness 1.5mm, as rolled, 99.95+%; Zinc, foil, 0.5m coil, thickness 2.0mm, as rolled, 99.95+%; Zinc, foil, 100x100mm, thickness 0.125mm, as rolled, 99.95+%; Zinc, foil, 100x100mm, thickness 0.125mm, as rolled, 99.99+%; Zinc, foil, 100x100mm, thickness 0.15mm, as rolled, 99.95+%; Zinc, foil, 100x100mm, thickness 0.175mm, as rolled, 99.95+%; Zinc, foil, 100x100mm, thickness 0.1mm, as rolled, 99.95+%; Zinc, foil, 100x100mm, thickness 0.20mm, as rolled, 99.95+%; Zinc, foil, 100x100mm, thickness 0.25mm, as rolled, 99.95+%; Zinc, foil, 100x100mm, thickness 0.25mm, as rolled, 99.99+%; Zinc, foil, 100x100mm, thickness 0.35mm, as rolled, 99.95+%; Zinc, foil, 100x100mm, thickness 0.5mm, as rolled, 99.95+%; Zinc, foil, 100x100mm, thickness 0.5mm, as rolled, 99.99+%; Zinc, foil, 100x100mm, thickness 1.0mm, as rolled, 99.95+%; Zinc, foil, 100x100mm, thickness 1.0mm, as rolled, 99.99+%; Zinc, foil, 100x100mm, thickness 1.5mm, as rolled, 99.95+%; Zinc, foil, 100x100mm, thickness 2.0mm, as rolled, 99.95+%; Zinc, foil, 10mm disks, thickness 0.025mm, as rolled, 99.95+%; Zinc, foil, 10mm disks, thickness 0.025mm, as rolled, 99.99+%; Zinc, foil, 10mm disks, thickness 0.05mm, as rolled, 99.95+%; Zinc, foil, 10mm disks, thickness 0.05mm, as rolled, 99.99+%; Zinc, foil, 10mm disks, thickness 0.075mm, as rolled, 99.95+%; Zinc, foil, 10mm disks, thickness 0.125mm, as rolled, 99.95+%; Zinc, foil, 10mm disks, thickness 0.125mm, as rolled, 99.99+%; Zinc, foil, 10mm disks, thickness 0.15mm, as rolled, 99.95+%; Zinc, foil, 10mm disks, thickness 0.175mm, as rolled, 99.95+%; Zinc, foil, 10mm disks, thickness 0.1mm, as rolled, 99.95+%; Zinc, foil, 10mm disks, thickness 0.20mm, as rolled, 99.95+%; Zinc, foil, 10mm disks, thickness 0.25mm, as rolled, 99.95+%; Zinc, foil, 10mm disks, thickness 0.25mm, as rolled, 99.99+%; Zinc, foil, 10mm disks, thickness 0.35mm, as rolled, 99.95+%; Zinc, foil, 10mm disks, thickness 0.5mm, as rolled, 99.95+%; Zinc, foil, 10mm disks, thickness 0.5mm, as rolled, 99.99+%; Zinc, foil, 10mm disks, thickness 1.0mm, as rolled, 99.95+%; Zinc, foil, 10mm disks, thickness 1.0mm, as rolled, 99.99+%; Zinc, foil, 150x150mm, thickness 0.125mm, as rolled, 99.95+%; Zinc, foil, 150x150mm, thickness 0.15mm, as rolled, 99.95+%; Zinc, foil, 150x150mm, thickness 0.175mm, as rolled, 99.95+%; Zinc, foil, 150x150mm, thickness 0.1mm, as rolled, 99.95+%; Zinc, foil, 150x150mm, thickness 0.20mm, as rolled, 99.95+%; Zinc, foil, 150x150mm, thickness 0.25mm, as rolled, 99.95+%; Zinc, foil, 150x150mm, thickness 0.35mm, as rolled, 99.95+%; Zinc, foil, 150x150mm, thickness 0.5mm, as rolled, 99.95+%; Zinc, foil, 150x150mm, thickness 1.0mm, as rolled, 99.95+%; Zinc, foil, 150x150mm, thickness 1.0mm, as rolled, 99.99+%; Zinc, foil, 150x150mm, thickness 1.5mm, as rolled, 99.95+%; Zinc, foil, 150x150mm, thickness 2.0mm, as rolled, 99.95+%; Zinc, foil, 15mm disks, thickness 0.025mm, as rolled, 99.95+%; Zinc, foil, 15mm disks, thickness 0.025mm, as rolled, 99.99+%; Zinc, foil, 15mm disks, thickness 0.05mm, as rolled, 99.95+%; Zinc, foil, 15mm disks, thickness 0.05mm, as rolled, 99.99+%; Zinc, foil, 15mm disks, thickness 0.075mm, as rolled, 99.95+%; Zinc, foil, 15mm disks, thickness 0.125mm, as rolled, 99.95+%; Zinc, foil, 15mm disks, thickness 0.125mm, as rolled, 99.99+%; Zinc, foil, 15mm disks, thickness 0.15mm, as rolled, 99.95+%; Zinc, foil, 15mm disks, thickness 0.175mm, as rolled, 99.95+%; Zinc, foil, 15mm disks, thickness 0.1mm, as rolled, 99.95+%; Zinc, foil, 15mm disks, thickness 0.20mm, as rolled, 99.95+%; Zinc, foil, 15mm disks, thickness 0.25mm, as rolled, 99.95+%; Zinc, foil, 15mm disks, thickness 0.25mm, as rolled, 99.99+%; Zinc, foil, 15mm disks, thickness 0.35mm, as rolled, 99.95+%; Zinc, foil, 15mm disks, thickness 0.5mm, as rolled, 99.95+%; Zinc, foil, 15mm disks, thickness 0.5mm, as rolled, 99.99+%; Zinc, foil, 15mm disks, thickness 1.0mm, as rolled, 99.95+%; Zinc, foil, 15mm disks, thickness 1.0mm, as rolled, 99.99+%; Zinc, foil, 1m coil, thickness 0.025mm, as rolled, 99.95+%; Zinc, foil, 1m coil, thickness 0.025mm, as rolled, 99.99+%; Zinc, foil, 1m coil, thickness 0.075mm, as rolled, 99.95+%; Zinc, foil, 1m coil, thickness 0.125mm, as rolled, 99.95+%; Zinc, foil, 1m coil, thickness 0.175mm, as rolled, 99.95+%; Zinc, foil, 25mm disks, thickness 0.025mm, as rolled, 99.95+%; Zinc, foil, 25mm disks, thickness 0.025mm, as rolled, 99.99+%; Zinc, foil, 25mm disks, thickness 0.05mm, as rolled, 99.95+%; Zinc, foil, 25mm disks, thickness 0.05mm, as rolled, 99.99+%; Zinc, foil, 25mm disks, thickness 0.075mm, as rolled, 99.95+%; Zinc, foil, 25mm disks, thickness 0.125mm, as rolled, 99.95+%; Zinc, foil, 25mm disks, thickness 0.125mm, as rolled, 99.99+%; Zinc, foil, 25mm disks, thickness 0.15mm, as rolled, 99.95+%; Zinc, foil, 25mm disks, thickness 0.175mm, as rolled, 99.95+%; Zinc, foil, 25mm disks, thickness 0.1mm, as rolled, 99.95+%; Zinc, foil, 25mm disks, thickness 0.20mm, as rolled, 99.95+%; Zinc, foil, 25mm disks, thickness 0.25mm, as rolled, 99.95+%; Zinc, foil, 25mm disks, thickness 0.25mm, as rolled, 99.99+%; Zinc, foil, 25mm disks, thickness 0.35mm, as rolled, 99.95+%; Zinc, foil, 25mm disks, thickness 0.5mm, as rolled, 99.95+%; Zinc, foil, 25mm disks, thickness 0.5mm, as rolled, 99.99+%; Zinc, foil, 25mm disks, thickness 1.0mm, as rolled, 99.95+%; Zinc, foil, 25mm disks, thickness 1.0mm, as rolled, 99.99+%; Zinc, foil, 25x25mm, thickness 0.125mm, as rolled, 99.95+%; Zinc, foil, 25x25mm, thickness 0.125mm, as rolled, 99.99+%; Zinc, foil, 25x25mm, thickness 0.15mm, as rolled, 99.95+%; Zinc, foil, 25x25mm, thickness 0.175mm, as rolled, 99.95+%; Zinc, foil, 25x25mm, thickness 0.20mm, as rolled, 99.95+%; Zinc, foil, 25x25mm, thickness 0.25mm, as rolled, 99.95+%; Zinc, foil, 25x25mm, thickness 0.25mm, as rolled, 99.99+%; Zinc, foil, 25x25mm, thickness 0.35mm, as rolled, 99.95+%; Zinc, foil, 2m coil, thickness 0.025mm, as rolled, 99.95+%; Zinc, foil, 2m coil, thickness 0.075mm, as rolled, 99.95+%; Zinc, foil, 2m coil, thickness 0.125mm, as rolled, 99.95+%; Zinc, foil, 2m coil, thickness 0.175mm, as rolled, 99.95+%; Zinc, foil, 300x300mm, thickness 0.125mm, as rolled, 99.95+%; Zinc, foil, 300x300mm, thickness 0.1mm, as rolled, 99.95+%; Zinc, foil, 300x300mm, thickness 0.20mm, as rolled, 99.95+%; Zinc, foil, 300x300mm, thickness 0.35mm, as rolled, 99.95+%; Zinc, foil, 300x300mm, thickness 1.0mm, as rolled, 99.95+%; Zinc, foil, 300x300mm, thickness 1.0mm, as rolled, 99.99+%; Zinc, foil, 300x300mm, thickness 1.5mm, as rolled, 99.95+%; Zinc, foil, 300x300mm, thickness 2.0mm, as rolled, 99.95+%; Zinc, foil, 4mm disks, thickness 0.025mm, as rolled, 99.95+%; Zinc, foil, 4mm disks, thickness 0.025mm, as rolled, 99.99+%; Zinc, foil, 4mm disks, thickness 0.05mm, as rolled, 99.95+%; Zinc, foil, 4mm disks, thickness 0.05mm, as rolled, 99.99+%; Zinc, foil, 4mm disks, thickness 0.075mm, as rolled, 99.95+%; Zinc, foil, 4mm disks, thickness 0.125mm, as rolled, 99.95+%; Zinc, foil, 4mm disks, thickness 0.125mm, as rolled, 99.99+%; Zinc, foil, 4mm disks, thickness 0.15mm, as rolled, 99.95+%; Zinc, foil, 4mm disks, thickness 0.175mm, as rolled, 99.95+%; Zinc, foil, 4mm disks, thickness 0.20mm, as rolled, 99.95+%; Zinc, foil, 4mm disks, thickness 0.25mm, as rolled, 99.95+%; Zinc, foil, 4mm disks, thickness 0.25mm, as rolled, 99.99+%; Zinc, foil, 4mm disks, thickness 0.35mm, as rolled, 99.95+%; Zinc, foil, 500x1000mm, thickness 0.5mm, as rolled, 99.7%; Zinc, foil, 500x1000mm, thickness 1.0mm, as rolled, 99.7%; Zinc, foil, 50mm disks, thickness 0.025mm, as rolled, 99.95+%; Zinc, foil, 50mm disks, thickness 0.05mm, as rolled, 99.95+%; Zinc, foil, 50mm disks, thickness 0.075mm, as rolled, 99.95+%; Zinc, foil, 50mm disks, thickness 0.125mm, as rolled, 99.95+%; Zinc, foil, 50mm disks, thickness 0.125mm, as rolled, 99.99+%; Zinc, foil, 50mm disks, thickness 0.15mm, as rolled, 99.95+%; Zinc, foil, 50mm disks, thickness 0.175mm, as rolled, 99.95+%; Zinc, foil, 50mm disks, thickness 0.1mm, as rolled, 99.95+%; Zinc, foil, 50mm disks, thickness 0.20mm, as rolled, 99.95+%; Zinc, foil, 50mm disks, thickness 0.25mm, as rolled, 99.95+%; Zinc, foil, 50mm disks, thickness 0.25mm, as rolled, 99.99+%; Zinc, foil, 50mm disks, thickness 0.35mm, as rolled, 99.95+%; Zinc, foil, 50mm disks, thickness 0.5mm, as rolled, 99.95+%; Zinc, foil, 50mm disks, thickness 0.5mm, as rolled, 99.99+%; Zinc, foil, 50mm disks, thickness 1.0mm, as rolled, 99.95+%; Zinc, foil, 50mm disks, thickness 1.0mm, as rolled, 99.99+%; Zinc, foil, 50x50mm, thickness 0.125mm, as rolled, 99.95+%; Zinc, foil, 50x50mm, thickness 0.125mm, as rolled, 99.99+%; Zinc, foil, 50x50mm, thickness 0.15mm, as rolled, 99.95+%; Zinc, foil, 50x50mm, thickness 0.175mm, as rolled, 99.95+%; Zinc, foil, 50x50mm, thickness 0.20mm, as rolled, 99.95+%; Zinc, foil, 50x50mm, thickness 0.25mm, as rolled, 99.95+%; Zinc, foil, 50x50mm, thickness 0.25mm, as rolled, 99.99+%; Zinc, foil, 50x50mm, thickness 0.35mm, as rolled, 99.95+%; Zinc, foil, 5m coil, thickness 0.025mm, as rolled, 99.95+%; Zinc, foil, 5m coil, thickness 0.075mm, as rolled, 99.95+%; Zinc, foil, 5m coil, thickness 0.125mm, as rolled, 99.95+%; Zinc, foil, 5m coil, thickness 0.175mm, as rolled, 99.95+%; Zinc, foil, 6mm disks, thickness 0.025mm, as rolled, 99.95+%; Zinc, foil, 6mm disks, thickness 0.025mm, as rolled, 99.99+%; Zinc, foil, 6mm disks, thickness 0.05mm, as rolled, 99.95+%; Zinc, foil, 6mm disks, thickness 0.05mm, as rolled, 99.99+%; Zinc, foil, 6mm disks, thickness 0.075mm, as rolled, 99.95+%; Zinc, foil, 6mm disks, thickness 0.125mm, as rolled, 99.95+%; Zinc, foil, 6mm disks, thickness 0.125mm, as rolled, 99.99+%; Zinc, foil, 6mm disks, thickness 0.15mm, as rolled, 99.95+%; Zinc, foil, 6mm disks, thickness 0.175mm, as rolled, 99.95+%; Zinc, foil, 6mm disks, thickness 0.20mm, as rolled, 99.95+%; Zinc, foil, 6mm disks, thickness 0.25mm, as rolled, 99.95+%; Zinc, foil, 6mm disks, thickness 0.25mm, as rolled, 99.99+%; Zinc, foil, 6mm disks, thickness 0.35mm, as rolled, 99.95+%; Zinc, foil, 8mm disks, thickness 0.025mm, as rolled, 99.95+%; Zinc, foil, 8mm disks, thickness 0.025mm, as rolled, 99.99+%; Zinc, foil, 8mm disks, thickness 0.05mm, as rolled, 99.95+%; Zinc, foil, 8mm disks, thickness 0.05mm, as rolled, 99.99+%; Zinc, foil, 8mm disks, thickness 0.075mm, as rolled, 99.95+%; Zinc, foil, 8mm disks, thickness 0.125mm, as rolled, 99.95+%; Zinc, foil, 8mm disks, thickness 0.125mm, as rolled, 99.99+%; Zinc, foil, 8mm disks, thickness 0.15mm, as rolled, 99.95+%; Zinc, foil, 8mm disks, thickness 0.175mm, as rolled, 99.95+%; Zinc, foil, 8mm disks, thickness 0.20mm, as rolled, 99.95+%; Zinc, foil, 8mm disks, thickness 0.25mm, as rolled, 99.95+%; Zinc, foil, 8mm disks, thickness 0.25mm, as rolled, 99.99+%; Zinc, foil, 8mm disks, thickness 0.35mm, as rolled, 99.95+%; Zinc, foil, not light tested, 25x25mm, thickness 0.01mm, 99.9%; Zinc, foil, not light tested, 25x25mm, thickness 0.02mm, 99.9%; Zinc, foil, not light tested, 50x50mm, thickness 0.01mm, 99.9%; Zinc, foil, not light tested, 50x50mm, thickness 0.02mm, 99.9%; Zinc, foil, thickness 0.5 mm, size 100 x 100 mm, purity 99.7%; Zinc, foil, thickness 0.5 mm, size 565 x 600 mm, purity 99.7%; Zinc, lump, 10 mm max. lump size, weight 1000 g, purity 99.99%; Zinc, lump, 10 mm max. lump size, weight 2000 g, purity 99.99%; Zinc, lump, 10 mm max. lump size, weight 50 g, purity 99.99%; Zinc, lump, 10 mm max. lump size, weight 500 g, purity 99.99%; Zinc, lump, 2 mm max. lump size, weight 100 g, purity 99.98%; Zinc, lump, 2 mm max. lump size, weight 1000 g, purity 99.98%; Zinc, lump, 2 mm max. lump size, weight 200 g, purity 99.98%; Zinc, lump, 2 mm max. lump size, weight 2000 g, purity 99.98%; Zinc, lump, 2 mm max. lump size, weight 500 g, purity 99.98%; Zinc, rod, 2.0 mm diameter, length 100 mm, high purity 99.99+%; Zinc, rod, 2.0 mm diameter, length 200 mm, high purity 99.99+%; Zinc, rod, 4.8 mm diameter, length 100 mm, high purity 99.99+%; Zinc, rod, 4.8 mm diameter, length 200 mm, high purity 99.99+%; Zinc, rod, 4.8 mm diameter, length 500 mm, high purity 99.99+%; Zinc, rod, 7.0 mm diameter, length 200 mm, high purity 99.99+%; Zinc, rod, 7.0 mm diameter, length 500 mm, high purity 99.99+%; Zinc, rod, 8 mm diameter, length 100 mm, high purity 99.999%; Zinc, rod, 8 mm diameter, length 245 mm, high purity 99.999%; Zinc, rod, 8 mm diameter, length 50 mm, high purity 99.999%; Zinc, rod, length 100 mm, 7.0 mm diameter, high purity 99.99+%; Zinc, rod, length 500 mm, 2.0 mm diameter, high purity 99.99+%; Zinc, wire reel, 100m, diameter 0.25mm, as drawn, 99.99+%; Zinc ore concentrate (trace elements), BCR(R) certified Reference Material; Zinc preparation, 5 g/dL Zn+2 in THF, highly reactive Rieke(R)metal; Zinc, foil, not light tested, 100x100mm, thickness 0.0025mm, 99.9%; Zinc, foil, not light tested, 100x100mm, thickness 0.005mm, 99.9%; Zinc, foil, not light tested, 100x100mm, thickness 0.015mm, 99.9%; Zinc, foil, not light tested, 100x100mm, thickness 0.01mm, 99.9%; Zinc, foil, not light tested, 100x100mm, thickness 0.02mm, 99.9%; Zinc, foil, not light tested, 25x25mm, thickness 0.001mm, 99.9%; Zinc, foil, not light tested, 25x25mm, thickness 0.0025mm, 99.9%; Zinc, foil, not light tested, 25x25mm, thickness 0.005mm, 99.9%; Zinc, foil, not light tested, 25x25mm, thickness 0.015mm, 99.9%; Zinc, foil, not light tested, 50x50mm, thickness 0.001mm, 99.9%; Zinc, foil, not light tested, 50x50mm, thickness 0.0025mm, 99.9%; Zinc, foil, not light tested, 50x50mm, thickness 0.005mm, 99.9%; Zinc, foil, not light tested, 50x50mm, thickness 0.015mm, 99.9%; Zinc, foil, thickness 0.25 mm, size 150 x 150 mm, high purity 99.99+%; Zinc, foil, thickness 0.5 mm, size 600 x 1130 mm, purity 99.7%; Zinc, foil, thickness 1.25 mm, size 50 x 145 mm, high purity 99.998%; Zinc, ingot, 99.99999%, high purity, 7N, 15 x 50 mm, approx. 63g; Zinc, lump, 6 mm max. lump size, weight 10 g, high purity 99.9998%; Zinc, lump, 6 mm max. lump size, weight 100 g, high purity 99.9998%; Zinc, lump, 6 mm max. lump size, weight 20 g, high purity 99.9999%; Zinc, lump, 6 mm max. lump size, weight 30 g, high purity 99.9998%; Zinc, lump, 6 mm max. lump size, weight 50 g, high purity 99.9998%; Zinc, nanopowder, 40-60 nm avg. part. size, >=99% trace metals basis; Zinc, powder, max. particle size 150 micron, weight 100 g, purity 99.9%; Zinc, powder, max. particle size 150 micron, weight 200 g, purity 99.9%; Zinc, powder, max. particle size 150 micron, weight 500 g, purity 99.9%; Zinc, powder, mean particle size 7.5 micron, weight 100 g, purity 98.8%; Zinc, powder, mean particle size 7.5 micron, weight 200 g, purity 98.8%; Zinc, rod, 10.0 mm diameter, length 1000 mm, high purity 99.99+%; Zinc, rod, 10.0 mm diameter, length 200 mm, high purity 99.99+%; Zinc, rod, 10.0 mm diameter, length 500 mm, high purity 99.99+%; Zinc, rod, 19.0 mm diameter, length 200 mm, high purity 99.99+%; Zinc, rod, 19.0 mm diameter, length 500 mm, high purity 99.99+%; Zinc, rod, 2.0 mm diameter, length 1000 mm, high purity 99.99+%; Zinc, rod, 4.8 mm diameter, length 1000 mm, high purity 99.99+%; Zinc, rod, length 100 mm, 10.0 mm diameter, high purity 99.99+%; Zinc, rod, length 100 mm, 19.0 mm diameter, high purity 99.99+%; Zinc standard for AAS, analytical standard, ready-to-use, traceable to BAM, in nitric acid; Zinc, foam, thickness 10 mm, size 100 x 100 mm, bulk density 0.95 g/cm3; Zinc, foam, thickness 10 mm, size 150 x 150 mm, bulk density 0.28 g/cm3; Zinc, foam, thickness 10 mm, size 300 x 300 mm, bulk density 0.28 g/cm3; Zinc, foam, thickness 20 mm, size 150 x 150 mm, bulk density 0.28 g/cm3; Zinc, foam, thickness 20 mm, size 300 x 300 mm, bulk density 0.28 g/cm3; Zinc, foil, 100x100mm, thickness 6mm, as rolled, polished on both sides, 99.99+%; Zinc, foil, 50x50mm, thickness 6mm, as rolled, polished on both sides, 99.99+%; Zinc, foil, light tested, 100x100mm, thickness 0.025mm, as rolled, 99.95+%; Zinc, foil, light tested, 100x100mm, thickness 0.05mm, as rolled, 99.95+%; Zinc, foil, light tested, 100x100mm, thickness 0.05mm, as rolled, 99.99+%; Zinc, foil, light tested, 100x100mm, thickness 0.075mm, as rolled, 99.95+%; Zinc, foil, light tested, 150x150mm, thickness 0.025mm, as rolled, 99.95+%; Zinc, foil, light tested, 150x150mm, thickness 0.05mm, as rolled, 99.95+%; Zinc, foil, light tested, 150x150mm, thickness 0.075mm, as rolled, 99.95+%; Zinc, foil, light tested, 25x25mm, thickness 0.025mm, as rolled, 99.95+%; Zinc, foil, light tested, 25x25mm, thickness 0.025mm, as rolled, 99.99+%; Zinc, foil, light tested, 25x25mm, thickness 0.05mm, as rolled, 99.95+%; Zinc, foil, light tested, 25x25mm, thickness 0.05mm, as rolled, 99.99+%; Zinc, foil, light tested, 25x25mm, thickness 0.075mm, as rolled, 99.95+%; Zinc, foil, light tested, 50x50mm, thickness 0.025mm, as rolled, 99.95+%; Zinc, foil, light tested, 50x50mm, thickness 0.025mm, as rolled, 99.99+%; Zinc, foil, light tested, 50x50mm, thickness 0.05mm, as rolled, 99.95+%; Zinc, foil, light tested, 50x50mm, thickness 0.05mm, as rolled, 99.99+%; Zinc, foil, light tested, 50x50mm, thickness 0.075mm, as rolled, 99.95+%; Zinc, foil, not light tested, 100x100mm, thickness 0.025mm, as rolled, 99.99+%; Zinc, foil, not light tested, 150x150mm, thickness 0.025mm, as rolled, 99.95+%; Zinc, foil, not light tested, 150x150mm, thickness 0.025mm, as rolled, 99.99+%; Zinc, ingot, 99.99999%, high purity, 7N, diameter 20-22 mm lenght 55 mm, tapered; Zinc, powder, 150 max. part. size (micron), weight 1000 g, purity 99.9%; Zinc, powder, 150 max. part. size (micron), weight 50 g, high purity 99.999%; Zinc, powder, 5 max. part. size (micron), weight 100 g, min. particle size 1 micron; Zinc, powder, 5 max. part. size (micron), weight 500 g, min. particle size 1 micron; Zinc, powder, 7.5 mean particle size (micron), weight 500 g, purity 98.8%; Zinc, powder, max. particle size 150 micron, weight 100 g, high purity 99.999%; Zinc, powder, max. particle size 150 micron, weight 20 g, high purity 99.999%; Zinc, powder, max. particle size 150 micron, weight 2000 g, purity 99.9%; Zinc, powder, max. particle size 5 micron, weight 1000 g, min. particle size 1 micron; Zinc, powder, max. particle size 5 micron, weight 200 g, min. particle size 1 micron; Zinc, powder, mean particle size 7.5 micron, weight 1000 g, purity 98.8%; Zinc, powder, mean particle size 7.5 micron, weight 2000 g, purity 98.8%; Zinc, puriss. p.a., ACS reagent, reag. ISO, reag. Ph. Eur., >=99.9%, granular; Zinc single crystal disc, 10mm (0.39in) dia, 2-3mm (0.08-0.1in) thick, (0001) orientation, +/-0.5 degrees; Zinc, sputtering target, diam. x thickness 3.00 in. x 0.125 in., 99.995% trace metals basis",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "Zn",
"molecular_weight": "65.4",
"state": "solid",
"clearance": "In one study of healthy patients, the clearance of zinc was found to be 0.63 ± 0.39 μg/min [L2101].",
"volume_of_distribution": "A pharmacokinetic study was done in rats to determine the distribution and other metabolic indexes of zinc in two particle sizes. It was found that zinc particles were mainly distributed to organs including the liver, lung, and kidney within 72 hours without any significant difference being found according to particle size or rat gender [A32466].",
"route_of_elimination": "The excretion of zinc through gastrointestinal tract accounts for approximately one-half of all zinc eliminated from the body [L2092]. \n\nConsiderable amounts of zinc are secreted through both biliary and intestinal secretions, however most is reabsorbed. This is an important process in the regulation of zinc balance. Other routes of zinc excretion include both urine and surface losses (sloughed skin, hair, sweat) [L2092]. \n\nZinc has been shown to induce intestinal metallothionein, which combines zinc and copper in the intestine and prevents their serosal surface transfer. Intestinal cells are sloughed with approximately a 6-day turnover, and the metallothionein-bound copper and zinc are lost in the stool and are thus not absorbed [L2103].\n\nMeasurements in humans of endogenous intestinal zinc have primarily been made as fecal excretion; this suggests that the amounts excreted are responsive to zinc intake, absorbed zinc and physiologic need [L2092].\n\nIn one study, elimination kinetics in rats showed that a small amount of ZnO nanoparticles was excreted via the urine, however, most of the nanoparticles were excreted via the feces [L2100].",
"protein_binding": "Approximately 60-70% of the zinc in circulation is bound to albumin. Any condition that alters serum albumin concentration may have a secondary effect on serum zinc levels [A2092], [L2211].",
"half_life": "The half-life of zinc in humans is approximately 280 days [L2091].",
"absorption": "Zinc is absorbed in the small intestine by a carrier-mediated mechanism [L2092]. Under regular physiologic conditions, transport processes of uptake do not saturate. The exact amount of zinc absorbed is difficult to determine because zinc is secreted into the gut. Zinc administered in aqueous solutions to fasting subjects is absorbed quite efficiently (at a rate of 60-70%), however, absorption from solid diets is less efficient and varies greatly, dependent on zinc content and diet composition [L2092]. \n\nGenerally, 33% is considered to be the average zinc absorption in humans [L2092]. More recent studies have determined different absorption rates for various populations based on their type of diet and phytate to zinc molar ratio. Zinc absorption is concentration dependent and increases linearly with dietary zinc up to a maximum rate [L20902].\n\nAdditionally zinc status may influence zinc absorption. Zinc-deprived humans absorb this element with increased efficiency, whereas humans on a high-zinc diet show a reduced efficiency of absorption [L2092].",
"cid": "23994",
"classification": "C",
"indications": "Foetor hepaticus; Hepato-lenticular degeneration; Hepatocellular injury; Liver disorder",
"side_effects": "",
"atc_codes": "C05AX04",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0416",
"name": "Benoxaprofen",
"synonyms": "Benoxaprofen; Oraflex; Uniprofen; 51234-28-7; Coxigon; Inflamid; Opren; dl-Benoxaprofen; Benoxaprofene; Benoxaprofenum; Compound 90459; Benoxaprofeno; Lilly 90459; Benoxaprofene [INN-French]; Benoxaprofenum [INN-Latin]; Benoxaprofeno [INN-Spanish]; 2-[2-(4-Chlorophenyl)-1,3-benzoxazol-5-yl]propanoic acid; (+-)-benoxaprofen; Benoxaprofen [USAN:INN:BAN]; 2-(2-(4-chlorophenyl)benzo[d]oxazol-5-yl)propanoic acid; 2-(4-Chlorophenyl)-alpha-methyl-5-benzoxazoleacetic acid; LRCL 3794; NSC 299582; CHEBI:76114; (1)-2-(4-Chlorophenyl)benzoxazole-5-propionic acid; EINECS 257-069-7; 5-Benzoxazoleacetic acid, 2-(4-chlorophenyl)-.alpha.-methyl-; BRN 1085080; C16H12ClNO3; 2-(p-Chlorophenyl)-.alpha.-methyl-5-benzoxazoleacetic acid; (+-)-2-(p-Chlorophenyl)-alpha-methyl-5-benzoxazoleacetic acid; NSC299582; 2-(2-(4-Chlorophenyl)-1,3-benzoxazol-5-yl)propanoic acid; 5-Benzoxazoleacetic acid, 2-(4-chlorophenyl)-alpha-methyl, (+-)-; Oraflex (TN); ( -)-Benoxaprofen; Benoxaprofen (USAN/INN); EINECS 266-692-3; 67434-14-4; SCHEMBL24413; CHEMBL340978; DTXSID4022650; CTK2F8145; MITFXPHMIHQXPI-UHFFFAOYSA-N; ( -)-2-(4-Chlorophenyl)-alpha-methyl-5-benzoxazoleacetic acid; (+-)-2-(4-Chlorophenyl)-alpha-methyl-5-benzoxazoleacetic acid; BDBM50088388; API0007668; DB04812; NSC-299582; DA-05331; LS-42081; SC-20578; FT-0662523; D03080; Q420082; 2-[2-(4-chlorophenyl)benzooxazol-5-yl]propanoic acid; (+/-)-2-(4-chlorophenyl)benzoxazole-5-propionic acid; 2-(p-Chlorophenyl)-alpha-methyl-5-benzoxazoleacetic acid; 2-(4-Chlorophenyl)-.alpha.-methyl-5-benzoxazoleacetic acid; 5-Benzoxazoleacetic acid, 2-(4-chlorophenyl)-alpha-methyl-; 2-[2-(4-Chlorophenyl)-1,3-benzoxazol-5-yl]propanoic acid #; (alphaR)-2-(4-Chlorophenyl)-alpha-methyl-5-benzoxazoleacetic acid; (alphaS)-2-(4-Chlorophenyl)-alpha-methyl-5-benzoxazoleacetic acid; (.+/-.)-2-(p-Chlorophenyl)-.alpha.-methyl-5-benzoxazoleacetic acid; 5-Benzoxazoleacetic acid, 2-(4-chlorophenyl)-.alpha.-methyl, (.+/-.)-",
"trade_name": "Oraflex, Opren",
"abbrev_name": "",
"description": "nonsteroidal anti-inflammatory drug (NSAID)",
"molecular_formula": "C16H12ClNO3",
"molecular_weight": "301.72",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "39941",
"classification": "M",
"indications": "Not Available",
"side_effects": "",
"atc_codes": "M01AE06",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T002",
"T004",
"T005",
"T019"
],
"function": [
"F02010202",
"F020103",
"F02040101"
],
"references": [
"RC00117",
"RC00118",
"RC00119",
"RC00120",
"RC00121",
"RC00546",
"RC00547"
]
},
{
"compound_ID": "D0417",
"name": "Fluconazole",
"synonyms": "fluconazole; 86386-73-4; Diflucan; Triflucan; Biozolene; Elazor; Biocanol; Fluconazol; Fungata; Fluconazolum; Flucazol; Flucostat; Flukezol; Flunizol; Pritenzol; Zonal; UK 49858; Alflucoz; Oxifugol; 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL; Canzol; Cryptal; Dimycon; Flusol; Forcan; Syscan; Zoltec; Baten; Mutum; Zemyc; 2-(2,4-Difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-yl)propan-2-ol; Fluconazol [Spanish]; Fluconazolum [Latin]; UK-49858; DRG-0005; UNII-8VZV102JFY; CCRIS 7211; C13H12F2N6O; DIFLUCAN IN SODIUM CHLORIDE 0.9%; 2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol; HSDB 7420; CHEMBL106; 2-(2,4-Difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-yl)-2-propanol; DIFLUCAN IN DEXTROSE 5% IN PLASTIC CONTAINER; 8VZV102JFY; 2,4-Difluoro-alpha,alpha-bis(1H-1,2,4-triazol-1-ylmethyl)benzyl alcohol; CHEBI:46081; RFHAOTPXVQNOHP-UHFFFAOYSA-N; 2-(2,4-Difluorophenyl)-1,3-di-1H-1,2,4-triazol-1-ylpropan-2-ol; Fluconazole, 98%; 1H-1,2,4-Triazole-1-ethanol, alpha-(2,4-difluorophenyl)-alpha-(1H-1,2,4-triazol-1-ylmethyl)-; alpha-(2,4-Difluorophenyl)-alpha-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazole-1-ethanol; NCGC00095089-01; Flunazol; Fluzone; Loitin; DIFLUCAN IN SODIUM CHLORIDE 0.9% IN PLASTIC CONTAINER; DSSTox_CID_627; DSSTox_RID_75701; DSSTox_GSID_20627; 123631-92-5; FLC; Diflazon; Fuconal; Triconal; Diflucan (TN); CPD000471882; SMR000471882; CAS-86386-73-4; FLCZ; Fluconazole & hGCSF; SR-01000765440; Fluconazole [USAN:INN:BAN:JAN]; Fluconazole in sodium chloride 0.9%; Flucoral; 2-(2,4-difluorophenyl)-1,3-di(1,2,4-triazolyl)propan-2-ol; Fluconazole & MC-510,011; Fluconazole (f); Fluconazole,(S); Fluconazole in dextrose 5% in plastic container; 2,4-Difluoro-alpha,alpha-1-bis(1H-1,2,4-triazol-1-ylmethyl)benzyl alcohol; Fluzon [Antifungal]; Fluconazole [USAN]; KS-1059; Fluconazole [USAN:USP:INN:BAN:JAN]; Fluconazole in sodium chloride 0.9% in plastic container; Fluconazole in combination with MGCD290; Spectrum_001654; Spectrum2_001607; Spectrum3_001912; Spectrum4_000090; Spectrum5_001277; F0677; MGCD290 and Fluconazole; cid_3365; MG-3290 and Fluconazole; SCHEMBL3151; BSPBio_003504; KBioGR_000360; KBioSS_002134; MLS001066394; MLS001165780; MLS001195645; MLS001304713; MLS001306492; MLS006011884; BIDD:GT0799; DivK1c_001030; SPECTRUM1503975; SPBio_001613; 1-p-tolylpyridin-2(1H)-one; ZINC4009; DTXSID3020627; BDBM25817; CTK4B3573; Fluconazole (JP17/USAN/INN); HMS503M21; KBio1_001030; KBio2_002134; KBio2_004702; KBio2_007270; KBio3_003009; NINDS_001030; HMS1922O10; HMS2090I20; HMS2093M21; HMS2230O22; HMS3259H13; HMS3373I19; HMS3654P15; HMS3715F21; HMS3748G19; Pharmakon1600-01503975; BCP28522; Fluconazole 2.0 mg/ml in Methanol; HY-B0101; KS-000000NR; 1,2,4-triazol-1-yl)propan-2-ol; Tox21_111419; Tox21_202240; Tox21_300581; 2-(2,4-Difluoro-phenyl)-1,3-bis-[1,2,4]triazol-1-yl-propan-2-ol; ABP001077; AC-428; ANW-42860; BBL005614; CCG-39065; CF0055; DL-407; Fluconazole & Human recombinant granulocyte colony stimulating factor; KM2402; MFCD00274549; NSC758661; s1331; SBB066063; STK619301; AKOS000280854; Tox21_111419_1; CS-1835; DB00196; Fluconazole, >=98% (HPLC), powder; LS-1858; MCULE-8641424658; NC00650; NSC-758661; IDI1_001030; NCGC00095089-02; NCGC00095089-04; NCGC00095089-05; NCGC00095089-06; NCGC00095089-07; NCGC00095089-08; NCGC00095089-09; NCGC00095089-10; NCGC00095089-11; NCGC00254412-01; NCGC00259789-01; 2-(2,4-difluorophenyl)-1,3-di(1H-; SAM002589905; SAM002589957; SC-12182; SC-26357; SC-35622; SBI-0051880.P002; AB0008515; AB1010904; TR-038046; UK-049858; UK-49,858; FT-0626437; ST51039043; SW199616-2; EN300-53634; C07002; D00322; J10407; AB00052399-07; AB00052399-08; AB00052399_09; AB00052399_10; 386F734; A841625; Q411478; Q-201120; SR-01000765440-2; SR-01000765440-4; SR-01000765440-8; UK-49858;UK 49858;UK49858; BRD-K05977355-001-02-6; BRD-K05977355-001-09-1; F2173-0496; Z235354561; Fluconazole, European Pharmacopoeia (EP) Reference Standard; 2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)-2-propanol; Fluconazole, United States Pharmacopeia (USP) Reference Standard; 2-[2,4-bis(fluoranyl)phenyl]-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol; 86386-73-4,155347-36-7(H2O),159532-41-9(methanesulfonate); Fluconazole, Pharmaceutical Secondary Standard; Certified Reference Material; Fluconazole for peak identification, European Pharmacopoeia (EP) Reference Standard; Fluconazole solution, 2.0 mg/mL in methanol, ampule of 1 mL, certified reference material; .alpha.-(2,4-Difluorophenyl)-.alpha.-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazole-1-ethanol; 340962-81-4; FLUCONAZOLE; ALPHA-(2,4-DIFLUOROPHENYL)-ALPHA-(1H-1,2,4-TRIAZOLE-1-YLMETHYL)-1H-1,2,4-TRIAZOLE-1-ETHANOL; ELAZOR; TRIFLUCAN; BIOZOLENE",
"trade_name": "Diflucan",
"abbrev_name": "",
"description": "azole antifungal",
"molecular_formula": "C13H12F2N6O",
"molecular_weight": "306.27",
"state": "solid",
"clearance": "This drug is mainly eliminated by the kidneys and the mean body clearance in adults is reported to be 0.23 mL/min/kg.[FDA label] One clinical study of healthy subjects showed total clearance of 19.5 ± 4.7 mL/min and renal clearance of 14.7 ± 3.7 mL/min (1.17 ± 0.28 and 0.88 ± 0.22 L/h).[A178792]\n\nClearance in the pediatric population varies according to age, as does clearance in patients with renal failure.[FDA label]",
"volume_of_distribution": "The apparent volume of distribution is said to be similar to the volume of distribution of total body water.[FDA label] One clinical study of healthy volunteers administered 50 mg/kg of fluconazole was 39L, based on a body weight of 60kg.[A178792]\n\nFluconazole shows substantial penetration in many body fluids, which is a property that renders it an ideal treatment for systemic fungal infections, especially when administered over a longer time.[A178792,FDA label] Fluconazole is found in high concentrations in the stratum corneum and dermis-epidermis of skin, in addition to eccrine sweat. Fluconazole is found to accumulate especially well in the stratum corneum, which is beneficial in superficial fungal infections.[L6496] Saliva and sputum concentrations of fluconazole are found to be similar to the plasma concentrations.[L6505] In patients diagnosed with fungal meningitis, fluconazole CSF (cerebrospinal fluid) levels are measured to be about 80% of the corresponding plasma levels. Therefore, fluconazole crosses the blood-brain barrier[L6496]. The meninges are increasingly permeable to fluconazole in states of inflammation, facilitating treatment in meningitis.[A178801]\n",
"route_of_elimination": "In normal volunteers, fluconazole is cleared primarily by renal excretion, with approximately 80% of the administered dose measured in the urine as unchanged drug.[FDA label] About 11% of the dose is excreted in the urine as metabolites.[FDA label]. A study of a 50mg radiolabeled dose of fluconazole revealed that 93.3% of the dose was found excreted in the urine.[A178813]\n\n**A note on renal failure**\n\nThe pharmacokinetics of fluconazole are significantly affected by renal dysfunction. The dose of fluconazole may need to be reduced in patients with decreased renal function. A 3-hour hemodialysis treatment lowers plasma fluconazole concentrations by about 50%.[FDA label]\n",
"protein_binding": "The protein binding of fluconazole is low and estimated to be 11 to 12%.[FDA label,A178792]",
"half_life": "The terminal elimination half-life in the plasma is approximately 30 hours (range: 20-50 hours) after oral administration.[FDA label]\nThe long plasma elimination half-life supports a single dose therapy for vaginal candidiasis, once daily and once weekly dosing for other indications.[L6496]. Patients with renal failure may require dosage adjustment, and half-life can be significantly increased in these patients.[A178792]\n",
"absorption": "The pharmacokinetic properties of fluconazole are comparable after administration by the intravenous (IV) and oral (PO) routes. In healthy volunteers, the bioavailability of orally administered fluconazole is measured to be above 90%.[FDA label] It is extensively absorbed in the gastrointestinal tract when an oral dose is taken.[A178813] Oral absorption is not affected by food intake with fluconazole but may increase the time until the maximum concentration is reached.[L6496,A178792]\n\nTmax (or the time taken to achieve the maximum concentration) in one clinical study of healthy patients receiving 50 mg/kg of fluconazole was 3 hours.[A178792] \n\nPeak plasma concentrations (Cmax) in fasting and healthy volunteers occur between 1-2 hours post-dose.[FDA label] Steady-state concentrations are achieved within 5 to 10 days after oral doses of 50-400 mg administered once daily. Administration of a loading dose on the first day of fluconazole treatment, or twice the usual daily dose, leads to plasma concentrations close to steady-state by the second day.[FDA label] Mean AUC (area under the curve) was 20.3 in healthy volunteers receiving 25 mg of fluconazole.[A178792]\n\n**A note on the capsule and powder form and malabsorption syndromes**\n\nThe capsule forms of fluconazole often contain lactose and should not be administered with hereditary galactose intolerance, _Lapp lactase enzyme_ deficiency, or malabsorption of glucose/galactose.[FDA label] The powder form, used for the oral suspension, lists sucrose as an ingredient and should not be used in patients who have been diagnosed with fructose, glucose/galactose malabsorption, and _sucrase-isomaltase_ enzyme deficiency.[FDA label]",
"cid": "3365",
"classification": "D; J",
"indications": "",
"side_effects": "",
"atc_codes": "D01AC15; J02AC01; J01RA07",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T002",
"T004",
"T005",
"T019",
"T408"
],
"function": [
"F0108",
"F0201",
"F02010103",
"F020103",
"F0303"
],
"references": [
"RC00142",
"RC00143",
"RC00144",
"RC00145",
"RC00146",
"RC03957",
"RC04063",
"RC04187",
"RC04311",
"RC04435",
"RC04559"
]
},
{
"compound_ID": "D0418",
"name": "benzarone",
"synonyms": "Benzarone; 1477-19-6; (2-Ethylbenzofuran-3-yl)(4-hydroxyphenyl)methanone; Vasoc; Benzaron; Fragivix; Fagivil; Venagil; 2-Ethyl-3-(4-hydroxybenzoyl)benzofuran; Benzarone [INN:DCF]; Methanone, (2-ethyl-3-benzofuranyl)(4-hydroxyphenyl)-; Benzaronum [INN-Latin]; Benzarona [INN-Spanish]; L 2197-Labaz; UNII-23ZW4BG89C; NSC 82134; 2-Ethyl-3-(p-hydroxybenzoyl)benzofuran; 2-Ethyl-4'-hydroxy-3-benzoylbenzofuran; 2-Ethyl-3-benzofuranyl p-hydroxyphenyl ketone; EINECS 216-026-2; L 2197; BRN 0222901; KETONE, 2-ETHYL-3-BENZOFURANYL p-HYDROXYPHENYL; 2-Ethyl-3-(4'-hydroxybenzoyl)benzofuran; 23ZW4BG89C; CHEMBL1474963; Fragivil; CHEBI:34559; Benzofuran, (2-ethyl-3-(4'-hydroxybenzoyl)); NSC82134; Ethyl-2 (hydroxy-4 benzoyl)-3 benzofuranne [French]; (2-Ethyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone; (2-ethyl-1-benzofuran-3-yl)-(4-hydroxyphenyl)methanone; AK115955; Benzaronum; Benzarona; EHBB; Benzofuran, [2-ethyl-3-(4'-hydroxybenzoyl)]; L 2179-Labaz; Ethyl-2 (hydroxy-4 benzoyl)-3 benzofuranne; ZINC71; NCIOpen2_004472; 5-18-02-00334 (Beilstein Handbook Reference); MLS006010019; SCHEMBL555497; (2-ethylbenzofuran-3-yl)-(4-hydroxyphenyl)methanone; DTXSID2061721; RFRXIWQYSOIBDI-UHFFFAOYSA-N; EX-A1132; WLN: T56 BOJ C2 DOR DQ; 2-Ethyl-3-p-hydroxybenzoylbenzofuran; BDBM50342278; NSC-82134; AKOS016010825; API0010522; MCULE-4948029211; TRA0071657; AS-18081; LS-87197; SMR001550644; AX8115419; UNM000003519301; W0011; C14474; 477B196; SR-01000945019; (2-ethyl-3-benzofuranyl)(4-hydroxyphenyl)methanone; SR-01000945019-1; Q27116149; (2-Ethylbenzo[b]furan-3-yl)(4-hydroxyphenyl)methanone; (2-Ethylbenzofuran-3-yl)(4-hydroxyphenyl)methanone (Benzarone)",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C17H14O3",
"molecular_weight": "266.29",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "255968",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T026",
"T032",
"T408"
],
"function": [
"F0105",
"F0108",
"F02010103",
"F02010201",
"F02060101",
"F02060201",
"F0303",
"F05",
"F0701",
"F070102"
],
"references": [
"RC00232",
"RC00233",
"RC00234",
"RC00235",
"RC00236",
"RC00255",
"RC00256",
"RC00257",
"RC00258",
"RC00291",
"RC00292",
"RC00293",
"RC00294",
"RC00295",
"RC00296",
"RC00297",
"RC00298",
"RC00329",
"RC00330",
"RC00331",
"RC00332",
"RC00333",
"RC00334",
"RC00359",
"RC00360",
"RC00361",
"RC00362",
"RC00363",
"RC00380",
"RC00385",
"RC00388",
"RC00395",
"RC00396",
"RC00397",
"RC00398",
"RC00412",
"RC00413",
"RC00414",
"RC00425",
"RC00430",
"RC00436",
"RC00437"
]
}
]
}
