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{
"count": 1453,
"next": "https://mitotox.org/api/compounds/list?format=api&page=9",
"previous": "https://mitotox.org/api/compounds/list?format=api&page=7",
"results": [
{
"compound_ID": "D0725",
"name": "4-amino-2,6-dichlorophenol",
"synonyms": "4-Amino-2,6-dichlorophenol; 5930-28-9; 2,6-Dichloro-4-aminophenol; Phenol, 4-amino-2,6-dichloro-; 3,5-Dichloro-4-hydroxyaniline; 2,6-Dichloro-p-aminophenol; UNII-I0L4CSX5N0; EINECS 227-671-4; MFCD00007875; NSC 156835; I0L4CSX5N0; 2,6-dichloro-4-amino phenol; 4-Amino-2,6-dichloro-phenol; KGEXISHTCZHGFT-UHFFFAOYSA-N; 4-Amino-2,6-dichlorophenol, 98%; ACMC-209mc4; DSSTox_CID_20720; DSSTox_RID_79567; DSSTox_GSID_40720; SCHEMBL93999; KSC490K7R; 4-amino-2,6-dichloro phenol; CHEMBL1454590; DTXSID3040720; CTK3J0578; ZINC157166; EBD44232; Tox21_301640; ANW-33218; NSC156835; SBB003766; STL196591; AKOS003632277; MCULE-3323345002; NSC-156835; TRA0000241; KS-00000O72; NCGC00164211-01; NCGC00255453-01; AC-26233; AK-35782; AS-10946; SC-65266; SY046976; CAS-5930-28-9; AB1002160; DB-020160; LS-103889; RT-002563; ST2411061; A0878; AM20040801; BB 0246798; FT-0617453; ST50825111; M-7201; J-610057; W-105332; Q27280208; F1196-0334; InChI=1/C6H5Cl2NO/c7-4-1-3(9)2-5(8)6(4)10/h1-2,10H,9H;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C6H5Cl2NO",
"molecular_weight": "178.01",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "80037",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01727",
"RC02348",
"RC02969"
]
},
{
"compound_ID": "D0726",
"name": "4-amino-2-nitrophenol",
"synonyms": "4-AMINO-2-NITROPHENOL; 119-34-6; Phenol, 4-amino-2-nitro-; Fourrine 57; 4-Hydroxy-3-nitroaniline; 2-Nitro-4-aminophenol; Fourrine Brown PR; Oxidation Base 25; Fourrine Brown Propyl; o-Nitro-p-aminophenol; p-Amino-o-nitrophenol; C.I. Oxidation Base 25; 3-Nitro-4-hydroxyaniline; 1-Amino-3-nitro-4-hydroxybenzene; NCI-C03963; 4-Amino-2-nitrofenol; CI Oxidation Base 25; C.I. 76555; CCRIS 36; ortho-Nitro-para-aminophenol; UNII-N3499RCQ6B; NSC 56809; 4-Amino-2-nitrofenol [Czech]; HSDB 4089; EINECS 204-316-1; BRN 1368435; CI 76555; N3499RCQ6B; CHEBI:82385; WHODQVWERNSQEO-UHFFFAOYSA-N; NCGC00091261-03; p-Aminonitrophenol; oxidation base 25; DSSTox_CID_64; 4-azanyl-2-nitro-phenol; WLN: ZR DQ CNW; ACMC-209a2f; DSSTox_RID_75343; DSSTox_GSID_20064; SCHEMBL56850; 4-hydroxy-3-nitrobenzenamine; 4-13-00-01284 (Beilstein Handbook Reference); KSC175Q1H; MLS002415701; 4-Amino-2-nitrophenol, 97%; 4-Amino-2-nitrophenol, 99%; CHEMBL1516868; DTXSID6020064; CTK0H5813; HMS3039D17; ACN-S003724; NSC56809; STR04666; Tox21_400027; ANW-17317; LS-615; MFCD00007876; NSC-56809; SBB063841; ZINC25723529; AKOS005159009; AC-3182; MCULE-9145379204; NE28627; TRA0089117; VZ28212; NCGC00091261-01; NCGC00091261-02; NCGC00091261-04; CAS-119-34-6; R128; SMR001370889; 4-Amino-2-nitrophenol, analytical standard; DB-041465; RT-001965; A0379; CS-0059135; FT-0631679; C19323; 119A346; A804262; J-004110; Q27155914; Z1649893329;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C6H6N2O3",
"molecular_weight": "154.12",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "3417419",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01728",
"RC02349",
"RC02970"
]
},
{
"compound_ID": "D0727",
"name": "4-amino-4φ-hydroxy-3-methyldiphenylamine",
"synonyms": "Ursol Blue Grey OM; Kayaku Sulphur Blue RP; Thional Indone Blue RN; 4-Amino-4'-hydroxy-3-methyldiphenylamine; 6219-89-2; Phenol, p-(4-amino-m-toluidino)-; 3'-Methyl-4'-amino-4-hydroxydiphenylamine; C.I. 76565; NSC 37093; CCRIS 5960; p-(4-Amino-m-toluidino)phenol; p-(4-Amino-3-toluidino)phenol; Phenol, 4-[(4-amino-3-methylphenyl)amino]-; 4-[(4-Amino-m-tolyl)amino]phenol; EINECS 228-294-8; UNII-7YB07WHF8N; 4-AMINO-4'-HYDROXY-3-METHYL-DIPHENYLAMINE; BRN 3531234; 7YB07WHF8N; Phenol, 4-((4-amino-3-methylphenyl)amino)-; 4-((4-Amino-m-tolyl)amino)phenol; 4-((4-Amino-3-methylphenyl)amino)phenol; 4-[(4-amino-3-methylphenyl)amino]phenol; C.I. Sulphur Blue 7; DSSTox_CID_4483; DSSTox_RID_77420; DSSTox_GSID_24483; 1327-57-7; 3-13-00-01162 (Beilstein Handbook Reference); MLS002415702; SCHEMBL8092870; CHEMBL1430204; DTXSID9024483; JGXPJGJSAMZYBO-UHFFFAOYSA-N; NSC37093; ZINC4522680; Tox21_200344; NSC-37093; AKOS022506291; 4-(4-Amino-3-methylanilino)phenol #; LS-1490; MCULE-5380647547; NCGC00091825-01; NCGC00091825-02; NCGC00091825-03; NCGC00257898-01; SMR001370890; CAS-6219-89-2; 4-(4-AMINO-META-TOLUIDINO)-PHENOL; C.I.76565; DS-012211; PHENOL,4-[(4-AMINO-3-METHYLPHENYL)AMINO]-;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C13H14N2O",
"molecular_weight": "214.26",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "22586",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01729",
"RC02350",
"RC02971"
]
},
{
"compound_ID": "D0728",
"name": "4-benzylphenol",
"synonyms": "4-Benzylphenol; 101-53-1; p-Benzylphenol; 4-HYDROXYDIPHENYLMETHANE; Fesiasept; 4-Hydroxyditane; Phenol, 4-(phenylmethyl)-; 4-(Phenylmethyl)phenol; p-Hydroxydiphenyl methane; alpha-Phenyl-p-cresol; NSC 8078; p-Hydroxydiphenylmethane; 4-Benzyl-phenol; p-Cresol, .alpha.-phenyl-; AI3-1932; UNII-CS02509J25; Parabencilfenilcarbamato [Spanish]; .alpha.-Phenyl-p-cresol; EINECS 202-950-3; BRN 1449572; AI3-01932; HJSPWKGEPDZNLK-UHFFFAOYSA-N; CS02509J25; Parabencilfenilcarbamato; 4-benzyiphenol; Fesia-sept; 4-(benzyl)phenol; a-Phenyl-p-cresol; 4-Benzylphenol, 99%; p-Cresol, alpha-phenyl-; ACMC-2097vr; Phenol,4-(phenylmethyl)-; DSSTox_CID_27938; DSSTox_RID_82690; DSSTox_GSID_47962; SCHEMBL87817; 4-06-00-04640 (Beilstein Handbook Reference); BIDD:ER0002; ARONIS011787; CHEMBL611613; DTXSID9047962; NSC8078; p-Cresol, alpha-phenyl- (8CI); ACT08063; KS-000042UG; NSC-8078; ZINC1586387; Tox21_201009; 6110AF; ANW-14485; MFCD00002384; SBB056683; STL066603; AKOS000114417; MCULE-5652013271; NE10188; RTR-000391; NCGC00248895-01; NCGC00248895-02; NCGC00258562-01; AS-58476; BP-10887; CAS-101-53-1; ST089349; LS-105061; TR-000391; BB 0246747; FT-0617672; EN300-61751; AB01333171-02; AE-641/00672030; J-000423; Q27275730; Z223656300;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C13H12O",
"molecular_weight": "184.23",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "7563",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01730",
"RC02351",
"RC02972"
]
},
{
"compound_ID": "D0729",
"name": "4-chloro-1,2-diaminobenzene",
"synonyms": "95-83-0; 4-chlorobenzene-1,2-diamine; 4-Chloro-o-phenylenediamine; 4-Chloro-1,2-diaminobenzene; 4-Chloro-1,2-phenylenediamine; 1,2-Diamino-4-chlorobenzene; 1,2-Benzenediamine, 4-chloro-; 3,4-Diaminochlorobenzene; Ursol Olive 6G; 4-CHLORO-1,2-BENZENEDIAMINE; 2-Amino-4-chloroaniline; p-Chloro-o-phenylenediamine; o-Phenylenediamine, 4-chloro-; 4-Cl-o-PD; NCI-C03292; 3,4-Diamino-1-chlorobenzene; 4-Chloro-ortho-phenylenediamine; NSC 6157; C.I. 76015; UNII-8E72QRZ33H; CCRIS 144; HSDB 5087; EINECS 202-456-8; MFCD00011691; BRN 0508472; CI 76015; 1-chloro-3,4-diaminobenzene; 8E72QRZ33H; CHEBI:82301; BXIXXXYDDJVHDL-UHFFFAOYSA-N; 4-Chloro-o-phenylenediamine, 97%; NCGC00091663-03; DSSTox_CID_283; DSSTox_RID_75486; DSSTox_GSID_20283; CAS-95-83-0; PubChem4350; 5-chloro-2-aminoaniline; 4-chloro-phenylenediamine; 4-Chloro-2-aminoaniline; WLN: ZR BZ DG; 3,4-diamino-chlorobenzene; 4-chloro-o-phenylendiamine; ACMC-209s5f; 4-13-00-00068 (Beilstein Handbook Reference); KSC486Q4R; SCHEMBL216307; p-chloro-1,2-phenylenediamine; 4-Chloro-orto-Phenylenediamine; 4-chloro-benzene-1,2-diamine; CHEMBL552741; DTXSID5020283; p-ch loro-1,2-phenylenediamine; 4-chloro-1,2-phenylene-diamine; CTK3I6848; TIMTEC-BB SBB008908; NSC6157; ATTERCOP-CHM AT112917; ZINC388066; ACT07478; NSC-6157; Tox21_202984; Tox21_400037; 4-CHLORO-O-PHENYLENE DIAMINE; ANW-40753; BBL027789; RW3976; SBB008908; STL382156; AKOS000120363; AC-9691; AS01542; CM12157; CS-W007387; LS-1992; MCULE-6271163512; PS-4477; RTC-060752; KS-00000O88; NCGC00091663-01; NCGC00091663-02; NCGC00091663-04; NCGC00091663-05; NCGC00260529-01; AK-46505; BR-46505; SC-07444; SY003447; AB1002357; DB-027093; ST2411354; TC-060752; AM20060760; FT-0617973; FT-0618045; ST50823840; C19207; M-7128; W-100154; Q27155865; 4-Chloro-1,2-diaminobenzene; 3,4-Diaminochlorobenzene; F0001-2281; Z1245635729; InChI=1/C6H7ClN2/c7-4-1-2-5(8)6(9)3-4/h1-3H,8-9H; 4JJ;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C6H7ClN2",
"molecular_weight": "142.58",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "7263",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01731",
"RC02352",
"RC02973"
]
},
{
"compound_ID": "D0730",
"name": "4-chloro-2-cyclopentylphenol",
"synonyms": "4-Chloro-2-cyclopentylphenol; Dowicide 9; 13347-42-7; Phenol, 4-chloro-2-cyclopentyl-; 4-Chloro-2-cyclopentyl phenol; Caswell No. 186; Dowicide 9 (Obs.); UNII-G68IT3QHT8; 2-Cyclopentyl-p-chlorophenol; Phenol,4-chloro-2-cyclopentyl-; EINECS 236-395-3; EPA Pesticide Chemical Code 064202; BRN 2050430; G68IT3QHT8; 2-Cyclopentyl-4-chlorophenol, Technical Grade; Dowicide-9; 2-CYCLOPENTYL-4-CHLOROPHENOL; DSSTox_CID_21506; DSSTox_RID_79754; DSSTox_GSID_41506; 3-06-00-02478 (Beilstein Handbook Reference); SCHEMBL560750; CHEMBL3185652; DTXSID1041506; CTK4B8554; LZUKCYHMVDGDBK-UHFFFAOYSA-N; ZINC1850412; Tox21_301228; AKOS006278725; NCGC00255674-01; CAS-13347-42-7; DB-123392; LS-104224; FT-0665382; J-006388; Q27278831;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C11H13ClO",
"molecular_weight": "196.67",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "61594",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01732",
"RC02353",
"RC02974"
]
},
{
"compound_ID": "D0731",
"name": "4-chloro-3,5-dimethylphenol",
"synonyms": "4-Chloro-3,5-dimethylphenol; chloroxylenol; 88-04-0; 4-Chloro-3,5-xylenol; PCMX; Dettol; Benzytol; p-Chloro-m-xylenol; 2-Chloro-m-xylenol; 4-Chloro-m-xylenol; Ottasept; Desson; Espadol; Chloro-xylenol; Ottasept Extra; Husept Extra; p-Chloro-3,5-xylenol; Phenol, 4-chloro-3,5-dimethyl-; Willenol V; 3,5-Dimethyl-4-chlorophenol; parachlorometaxylenol; Septiderm-Hydrochloride; Chloroxylenolum; Chlorxylenolum; Cloroxilenol; 2-Chloro-5-hydroxy-m-xylene; Dettol, liquid antiseptic; Nipacide MX; Parametaxylenol; RBA 777; 2-Chloro-5-hydroxy-1,3-dimethylbenzene; 4-Chloro-1-hydroxy-3,5-dimethylbenzene; 3,5-Xylenol, 4-chloro-; Caswell No. 218; Clorossilenolo [DCIT]; C8H9ClO; NSC 4971; Cloroxilenol [INN-Spanish]; Chloroxylenolum [INN-Latin]; UNII-0F32U78V2Q; 4-chloro-3,5-dimethyl-phenol; HSDB 7427; EINECS 201-793-8; 4-Chloro-3, 5-xylenol; EPA Pesticide Chemical Code 086801; BRN 1862539; AI3-08632; CHEBI:34393; NSC4971; OSDLLIBGSJNGJE-UHFFFAOYSA-N; 0F32U78V2Q; 4-Chloro-3,5-dimethylphenol, 99%; NCGC00094614-03; Clorossilenolo; DSSTox_CID_12316; DSSTox_RID_78913; DSSTox_GSID_32316; Vionexus; CAS-88-04-0; Camel (pesticide); Ayrtol; 5-dimethylphenol; Chloroxylenol [USAN:INN:BAN]; Nipacide PX; Chloroxylenol(USAN; Chloroxylenol [USAN:USP:INN:BAN]; 4-Chloro-3; PubChem19739; Spectrum_000138; 3, 4-chloro-; ACMC-209qqy; m-Xylenol, 4-chloro-; Para-chloro-meta-xylenol; G00014-Watson-Int; Para Chloro Meta Xylenol; Spectrum2_000136; Spectrum3_000344; Spectrum4_000281; Spectrum5_000713; Chloroxylenol (USP/INN); 4-chloro-3,5dimethylphenol; SCHEMBL34163; BSPBio_002007; KBioGR_000802; KBioSS_000598; p-Chloro-3,5-dimethylphenol; KSC490K5R; MLS000028592; BIDD:ER0218; DivK1c_000801; SPECTRUM1500182; SPBio_000212; WLN: QR DG C1 E1; 3,5-Dimethy-4-Chloro phenol; 3, 5-Dimethyl-4-chlorophenol; CHEMBL398440; ZINC1132; DTXSID0032316; CTK3J0558; HMS502I03; KBio1_000801; KBio2_000598; KBio2_003166; KBio2_005734; KBio3_001227; KS-00000JQO; NINDS_000801; HMS1920K19; HMS2091C22; HMS2233N06; HMS3369I18; Para Chloro Meta Xylenol (PCMX); Pharmakon1600-01500182; HY-B1414; NSC-4971; Name: 4-Chloro-3,5-dimethylphenol; Tox21_111305; Tox21_302047; AC-265; ANW-38936; CCG-38943; MFCD00002324; NSC756683; s4518; STL183324; AKOS009159132; Tox21_111305_1; CS-4912; DB11121; MCULE-8065730786; NE10171; NSC-756683; RTR-033329; IDI1_000801; TRA-0206252; NCGC00094614-01; NCGC00094614-02; NCGC00094614-04; NCGC00094614-06; NCGC00255257-01; AK-36681; H323; SC-22624; SMR000059157; 4-Chloro-3,5-xylenol;p-Chloro-m-xylenol; SBI-0051310.P003; DB-028803; LS-162628; TR-033329; FT-0618059; ST24023473; ST50824606; A16004; C14715; D03473; AB00051942_07; Q426460; SR-01000778359; SR-01000778359-2; 4-Chloro-3,5-dimethylphenol, purum, >=98.0% (T); BRD-K17223896-001-02-7; BRD-K17223896-001-06-8; F0001-2183; Z1235963354; Chloroxylenol, British Pharmacopoeia (BP) Reference Standard; Chloroxylenol, United States Pharmacopeia (USP) Reference Standard; InChI=1/C8H9ClO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,1-2H; Chloroxylenol, Pharmaceutical Secondary Standard; Certified Reference Material;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C8H9ClO",
"molecular_weight": "156.61",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "2723",
"classification": "D",
"indications": "",
"side_effects": "",
"atc_codes": "D08AE05",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01733",
"RC02354",
"RC02975"
]
},
{
"compound_ID": "D0732",
"name": "4-chlorophenyl isocyanate",
"synonyms": "4-Chlorophenyl isocyanate; 104-12-1; p-Chlorophenyl isocyanate; 1-Chloro-4-isocyanatobenzene; Benzene, 1-chloro-4-isocyanato-; PCPI; 4-Chloroisocyanatobenzene; para-Chlorophenyl isocyanate; p-Chlorfenylisokyanat; ISOCYANIC ACID, P-CHLOROPHENYL ESTER; 1-chloro-4-isocyanato-benzene; 4-Isocyanato chlorobenzene; UNII-W46XL60WI8; NSC 76589; p-Chlorfenylisokyanat [Czech]; HSDB 1331; 4-Chlorophenylisocyanate; EINECS 203-176-9; W46XL60WI8; 4-Chlorophenyl isocyanate, 98%; ADAKRBAJFHTIEW-UHFFFAOYSA-N; 4-chlorobenzenisocyanate; 4-Chloro-iso-cyanatobenzene; 1-chloro-4-isocyanato-benzen; MFCD00002024; p-chlorophenylisocvanate; p-chlorophenylisocyanate; p-chlorphenyl isocyanate; 4-chlorophenyl isocynate; p- chlorophenylisocyanate; p-chloro phenylisocyanate; 4-chiorophenyl isocyanate; 4-chloro phenylisocyanate; 4-chloro-phenylisocyanate; 4-chlorophenyl-isocyanate; WLN: OCNR DG; 4-chlorophenyl -isocynate; 4-chloro phenyl isocyanate; 4-chloro-phenyl isocyanate; EC 203-176-9; 1-chloro-4-isocyanatobenzen; DSSTox_CID_20732; DSSTox_RID_79577; DSSTox_GSID_40732; SCHEMBL77660; KSC490A8T; 1-chloro-4 isocyanato-benzene; 4-chloro-1-isocyanato benzene; 4-chloro-1-isocyanato-benzene; ACMC-2098b0; CHEMBL1865294; DTXSID7040732; CTK3J0089; KS-00000EMG; 1-chloranyl-4-isocyanato-benzene; BCP29164; NSC76589; ZINC1707960; Isocyanic Acid 4-Chlorophenyl Ester; Tox21_300991; ANW-15034; BBL012220; NSC-76589; SBB058877; STL163561; AKOS000121897; MCULE-8599901017; TRA0050202; NCGC00164343-01; NCGC00164343-02; NCGC00254893-01; CAS-104-12-1; LS-84439; SC-26481; VS-03241; AB1003315; DB-014008; RT-001453; FT-0631566; FT-0650417; FT-0686388; I0121; ST50824415; 137131-EP2286811A1; 137131-EP2292606A1; A800902; W-108825; Q26840784; F2190-0546;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C7H4ClNO",
"molecular_weight": "153.56",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "7693",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01734",
"RC02355",
"RC02976"
]
},
{
"compound_ID": "D0733",
"name": "4-cumylphenol",
"synonyms": "4-Cumylphenol; 599-64-4; p-Cumylphenol; 4-(2-phenylpropan-2-yl)phenol; Phenol, 4-(1-methyl-1-phenylethyl)-; p-Cumyl phenol; 4-(1-Methyl-1-phenylethyl)phenol; 4-alpha-Cumylphenol; 4-(Dimethylphenylmethyl)phenol; 4-(2-PHENYLISOPROPYL)PHENOL; 4-Hydroxydiphenyldimethylmethane; 2-Phenyl-2-(4-hydroxyphenyl)propane; 2-Phenyl-2-(p-hydroxyphenyl)propane; paracumylphenol; p-(alpha-Cumenyl)phenol; UNII-2RLA3OL3QT; NSC 6237; p-(alpha,alpha-Dimethylbenzyl)phenol; 4-(alpha,alpha-Dimethylbenzyl)phenol; Phenol, 4-(1-methyl-1-phenethyl)-; 4-(1-Methyl-1-phenethyl)phenol; EINECS 209-968-0; 2RLA3OL3QT; p-(.alpha.-Cumyl)phenol; BRN 1870517; AI3-08269; CHEBI:35092; Phenol, p-(.alpha.,.alpha.-dimethylbenzyl)-; QBDSZLJBMIMQRS-UHFFFAOYSA-N; MFCD00002365; 2-(4'-Hydroxyphenyl)-2-phenylpropane; Phenol, p-(alpha,alpha-dimethylbenzyl)-; 4-(.alpha.,.alpha.-Dimethylbenzyl)phenol; p-(.alpha.,.alpha.-Dimethylbenzyl)phenol; DSSTox_CID_2536; DSSTox_RID_76617; DSSTox_GSID_22536; 4-(1-Methyl-1-Phenethyl) Phenol; p-[alpha,alpha-dimethylbenzyl)phenol; CAS-599-64-4; p-Hydroxy-2,2-diphenylpropane; para-cumylphenol; CCRIS 8908; p--cumylphenol; HSDB 8089; 2zas; Cumyl phenol (Related); 4-Cumylphenol, 99%; ACMC-1AOGA; 4-Isopropylphenyl phenol; C14258; EC 209-968-0; Cambridge id 5142949; p-(.alpha.-Cumenyl)phenol; TimTec1_002380; SCHEMBL51117; KSC492O3B; BIDD:ER0173; 4-(2-Phenylisopropyl) phenol; [1, ar'-(1-methylethyl)-; CHEMBL194805; DTXSID3022536; BDBM29609; CTK3J2730; Phenol,.alpha.-dimethylbenzyl)-; NSC6237; HMS1540M04; HMS3604L17; KUC105982N; KS-000010UM; NSC-6237; ZINC1085204; Tox21_201297; Tox21_300056; 4-(1-Methyl-1-phenylethyl)-phenol; ANW-33399; SBB043700; STK831902; 4-(1-Methyl-1-phenyl-ethyl)-phenol; AKOS000120751; DB06902; KSC-19-030; MCULE-5968866162; NE10182; TRA0094532; NCGC00090941-01; NCGC00090941-02; NCGC00090941-03; NCGC00090941-04; NCGC00090941-05; NCGC00253961-01; NCGC00258849-01; AS-57116; ST029283; DB-072734; LS-104498; LS-104913; RT-000950; FT-0616686; Phenol, 4-(1-methyl-1-phenethyl)- (9CI); W-105293; BRD-K94049994-001-01-5; Q27095806; Z57068819; F0020-1559; UNII-E76192MWPA component QBDSZLJBMIMQRS-UHFFFAOYSA-N; (alpha, alpha-dimethylbenzyl) phenol, p-; Cumylphenol, p-; Phenol, p-(alpha, alpha-dimethylbenzyl)-; Phenol, 4-(1-methyl-1-phenylethyl)-; 1OH;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C15H16O",
"molecular_weight": "212.29",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "11742",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01735",
"RC02356",
"RC02977"
]
},
{
"compound_ID": "D0734",
"name": "4'-demethylepipodophyllotoxin",
"synonyms": "4'-Demethylepipodophyllotoxin; 6559-91-7; 4'-DMEP; 4-Demethylepipodophyllotoxin; UNII-X0S6I23X6L; (-)-4'-Demethylepipodophyllotoxin; BRN 1358259; X0S6I23X6L; CHEBI:74422; C21H20O8; (5R,5aR,8aR,9S)-9-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one; (5s,5ar,8ar,9r)-9-(3,5-Dimethoxy-4-Oxidanyl-Phenyl)-5-Oxidanyl-5a,6,8a,9-Tetrahydro-5h-[2]benzofuro[6,5-F][1,3]benzodioxol-8-One; Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5ah)-one, 5,8,8a,9-tetrahydro-9-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-, (5R-(5-alpha,5a-beta,8a-alpha,9-beta))-; Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-9-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-, (5R,5aR,8aR,9S)-; 4'-O-demethylepipodophyllotoxin; 4'-Demethyl-epipodophyllotoxin; etoposide aglycone; NCGC00161927-01; DSSTox_CID_28668; DSSTox_RID_82938; DSSTox_GSID_48742; CHEMBL31929; 4'-demethyl epipodophyllotoxin; epi-4'-demethylpodophyllotoxin; SCHEMBL9885196; DTXSID7048742; 4'-demethyl-9-epipodophyllotoxin; Epipodophyllotoxin, 4'-demethyl-; YVCVYCSAAZQOJI-JHQYFNNDSA-N; 4'-O-demethyl-4-epipodophyllotoxin; EX-A1205; ZINC5670074; ZX-AT011557; (-)-4'-demethyl-epipodophyllotoxin; Tox21_113196; s2254; AKOS015896348; AC-7468; ACN-029912; API0008256; CCG-208563; CS-1426; AS-18736; HY-17435; LS-70855; SC-87273; CAS-6559-91-7; AB0028992; AB3000013; FT-0082692; FT-0618332; X1118; C-1183; C21185; 4-Demethylepipodophyllotoxin(NSC-122819,VM-26); C-28519; SR-05000002194; Q-100747; SR-05000002194-2; Q27144659; (10R,11R,15R,16S)-16-hydroxy-10-(4-hydroxy-3,5-dimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.03,7.011,15]hexadeca-1,3(7),8-trien-12-one; (5R,5aR,8aR,9S)-5,8,8a,9-Tetrahydro-9-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one; (5R,5aR,8aR,9S)-5,8,8a,9-tetrahydro-9-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one; (5S,5aR,8aR,9R)-5-hydroxy-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one; 4'-DMEP|||(5S,5aR,8aR,9R)-5-Hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one; 89O; Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-9-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-, (5R-(5alpha,5abeta,8aalpha,9beta))-;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C21H20O8",
"molecular_weight": "400.4",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "122797",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01736",
"RC02357",
"RC02978"
]
},
{
"compound_ID": "D0735",
"name": "4-dodecylphenol",
"synonyms": "4-Dodecylphenol; 104-43-8; Phenol, 4-dodecyl-; p-Dodecylphenol; Phenol, p-dodecyl-; UNII-EZF5Y6P2G8; CHEMBL194881; EZF5Y6P2G8; CHEBI:34402; KJWMCPYEODZESQ-UHFFFAOYSA-N; 4-n-dodecylphenol; 4-dodecyl phenol; 4-Dodecyl-phenol; Para-dodecyl phenol; EINECS 203-202-9; DSSTox_CID_2508; C14245; DSSTox_RID_76604; DSSTox_GSID_22508; SCHEMBL18082; Phenol, 4-dodecyl-,branched; BIDD:ER0007; DTXSID1022508; CTK0H8281; BCP25278; ZINC2579166; Tox21_301020; 1001AA; BDBM50410517; AKOS016010820; MCULE-3773232069; NE33197; Branched-chain dodecyl-4-hydroxy-benzene; NCGC00248258-01; NCGC00254922-01; CAS-104-43-8; DB-040542; ST2405761; FT-0631570; ST51045374; Branched dodecylphenol, Branched-chain dodecylphenol; Q27116044; UNII-07Y0JWH5OU component KJWMCPYEODZESQ-UHFFFAOYSA-N;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C18H30O",
"molecular_weight": "262.4",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "66030",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01737",
"RC02358",
"RC02979"
]
},
{
"compound_ID": "D0736",
"name": "4-ethylphenol",
"synonyms": "4-ETHYLPHENOL; 123-07-9; p-Ethylphenol; Phenol, 4-ethyl-; 1-Ethyl-4-hydroxybenzene; Phenol, p-ethyl-; para-Ethylphenol; 1-Hydroxy-4-ethylbenzene; 4-Hydroxyphenylethane; 4-ethyl-phenol; 4-Hydroxyethylbenzene; Paraethylphenol; Hydroxyphenylethane, p-; UNII-AGG7E6G0ZC; 4-ethyl phenol; Phenol, 3(or 4)-ethyl-; FEMA No. 3156; HSDB 5598; EINECS 204-598-6; NSC 62012; AGG7E6G0ZC; BRN 1363317; AI3-26063; CHEBI:49584; HXDOZKJGKXYMEW-UHFFFAOYSA-N; BENZENE,1-ETHYL,4-HYDROXY; MFCD00002393; 4-Ethylphenol, 97%; DSSTox_CID_1977; DSSTox_RID_76438; DSSTox_GSID_21977; 29471-88-3; CAS-123-07-9; p-ethyl phenol; 4-ethyl- phenol; PubChem3874; 4-ethyl-phenyl alcohol; 2ra6; 4-Ethylphenol, 99%; ACMC-1BV6Q; bmse000681; SCHEMBL28713; 4-06-00-03020 (Beilstein Handbook Reference); KSC238K7P; BIDD:ER0028; CHEMBL108475; SGCUT00257; DTXSID4021977; 4-Ethylphenol, >=98%, FG; NSC62012; to_000047; ZINC1690956; Tox21_201533; Tox21_302986; ANW-18096; NSC-62012; s6308; SBB057513; STL194291; 4-Ethylphenol, >=97.0% (GC); AKOS000120205; CS-W013552; HY-W012836; MCULE-7755465629; NE10189; RTR-003657; TRA0088896; NCGC00249062-01; NCGC00256558-01; NCGC00259083-01; AK114308; L717; SC-47139; 4-Ethylphenol 10 microg/mL in Acetonitrile; DB-003481; LS-104619; TR-003657; E0159; FT-0618420; ST24029082; ST50331802; C13637; 4-Ethylphenol, PESTANAL(R), analytical standard; Q409853; W-108417; F1908-0166; Z1262254269; UNII-C27Y543KVA component HXDOZKJGKXYMEW-UHFFFAOYSA-N; InChI=1/C8H10O/c1-2-7-3-5-8(9)6-4-7/h3-6,9H,2H2,1H; ETY;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C8H10O",
"molecular_weight": "122.16",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "31242",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01738",
"RC02359",
"RC02980"
]
},
{
"compound_ID": "D0737",
"name": "4-hexyl-4'-cyanobiphenyl",
"synonyms": "41122-70-7; 4-Hexyl-4'-cyanobiphenyl; 4-Cyano-4'-hexylbiphenyl; 4'-Hexyl-4-biphenylcarbonitrile; 4'-hexylbiphenyl-4-carbonitrile; 4-N-HEXYL-4'-CYANOBIPHENYL; 4'-Hexyl-[1,1'-biphenyl]-4-carbonitrile; CCRIS 6044; [1,1'-Biphenyl]-4-carbonitrile, 4'-hexyl-; EINECS 255-228-5; (1,1'-Biphenyl)-4-carbonitrile, 4'-hexyl-; C19H21N; VADSDVGLFDVIMG-UHFFFAOYSA-N; 1,1'-Biphenyl, 4-cyano-4'-hexyl-; 4-Hexyl-[1,1-biphenyl]-4-carbonitrile; 4'-Hexyl(1,1'-biphenyl)-4-carbonitrile; 4'-Hexyl[1,1'-biphenyl]-4-carbonitrile; 6CB; W-106319; 4-(4-hexylphenyl)benzenecarbonitrile; 4-(4-hexylphenyl)benzonitrile; FR-2321; DSSTox_CID_5404; DSSTox_RID_77774; DSSTox_GSID_25404; SCHEMBL20700; MLS001056208; CHEMBL1442113; DTXSID4025404; 4'-Hexyl-4-diphenylcarbonitrile; ZINC2149541; Tox21_201123; SBB008608; 4-HEXYL-4-BIPHENYLCARBONITRILE; AKOS015839944; AS04546; LS-1254; MCULE-6284004194; VZ35425; ACM41122707; NCGC00091405-01; NCGC00091405-02; NCGC00091405-03; NCGC00258675-01; AK-50727; AS-60558; CC-19395; SC-90790; SMR001216569; AX8009041; CAS-41122-70-7; TR-016352; [1,1'-Biphenyl]-4-carbonitrile,4'-hexyl-; 4'-Hexyl[1,1'-biphenyl]-4-carbonitrile #; FT-0618289; ST50826005; Z5521; C-16474; 4'-Hexyl-4-biphenylcarbonitrile, liquid crystal (nematic), 98%; 4-n-Hexylbiphenyl-4'-carbonitrile C19H21N 263.38 113 degrees (235 degrees F) 41122-70-7 255-228-5 MFCD00075144 Y;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C19H21N",
"molecular_weight": "263.4",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "38764",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01739",
"RC02360",
"RC02981"
]
},
{
"compound_ID": "D0738",
"name": "4-hydroxybenzophenone",
"synonyms": "4-Hydroxybenzophenone; 1137-42-4; 4-Benzoylphenol; (4-Hydroxyphenyl)(phenyl)methanone; p-Benzoylphenol; Methanone, (4-hydroxyphenyl)phenyl-; P-HYDROXYBENZOPHENONE; (4-Hydroxyphenyl)phenylmethanone; 4-HYDROXY-BENZOPHENONE; Benzophenone, 4-hydroxy-; UNII-04R2LWS0MS; 4'-Hydroxybenzophenone; NSC 1887; EINECS 214-507-1; MFCD00002355; 04R2LWS0MS; 4-hydroxyphenyl phenyl ketone; AI3-00862; CHEMBL194487; CHEBI:34421; NPFYZDNDJHZQKY-UHFFFAOYSA-N; Benzophenone, 4-hydroxy- (6CI,7CI,8CI); 4-Hydroxybenzophenone, 98+%; (4-hydroxyphenyl)-phenylmethanone; (4-hydroxyphenyl)-phenyl-methanone; 4-hydroxy-benzphenone; 4-hydroxylbenzophenone; PubChem3313; 4-Hydroxy benzophenone; ACMC-1CA5I; DSSTox_CID_16684; DSSTox_RID_79290; DSSTox_GSID_36684; 4-Hydroxybenzophenone, 98%; KSC176G9B; BIDD:ER0013; SCHEMBL124916; DTXSID5036684; CTK0H6390; NSC1887; ZINC388760; KS-00000K9G; NSC-1887; Tox21_201229; (4-Hydroxy-phenyl)-phenyl-methanone; ANW-16656; BDBM50410491; N-(4-Hydroxylphenyl)-N'-phenylurea; SBB063296; STK045122; (4-Hydroxyphenyl)(phenyl)methanone #; AKOS000119744; 1-(4-Hydroxyphenyl)-1-phenylmethanone; CS-W015653; LS10614; MCULE-6455123564; NE10180; PS-8242; RTR-002626; TRA0077212; NCGC00248965-01; NCGC00248965-02; NCGC00258781-01; AK-94847; LS-91284; SC-00428; (4-HYDROXY-PHENYL)-PHENYLMETHANONE; CAS-1137-42-4; DB-041182; ST2414348; TR-002626; FT-0618700; ST50825425; C14230; AB00376867-03; W-108613; Q27116055; F0001-0279; Z208331616; InChI=1/C13H10O2/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,14;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C13H10O2",
"molecular_weight": "198.22",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "14347",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01740",
"RC02361",
"RC02982"
]
},
{
"compound_ID": "D0739",
"name": "4-methyl-2,6-dinitrophenol",
"synonyms": "2,6-Dinitro-p-cresol; 4-METHYL-2,6-DINITROPHENOL; 609-93-8; Victoria Orange; 2,6-Dinitro-4-methylphenol; Victoria Yellow; Dinitro-p-cresol; DNPC; Phenol, 4-methyl-2,6-dinitro-; p-Cresol, 2,6-dinitro-; UNII-L572BVH6NF; NSC 33870; HSDB 5434; Toluene, 3,5-dinitro-4-hydroxy-; EINECS 210-203-8; BRN 1978786; L572BVH6NF; 4-Hydroxy-3,5-dinitrotoluene; AI3-24606; HOYRZHJJAHRMLL-UHFFFAOYSA-N; 2,6-Dinitro-p-cresol;2,6-Dinitro-4-methylphenol; W-105214; 2,6-dinitro-4methyl phenol; 4-methyl-2,6-dinitro-phenol; p-Cresol,6-dinitro-; 2,6-dinitro-p-kresol; ACMC-20ao7t; 2,6-Dinitro-4-cresol; DSSTox_CID_7239; DSSTox_RID_78363; DSSTox_GSID_27239; 4-06-00-02152 (Beilstein Handbook Reference); SCHEMBL322531; WLN: WNR BQ E1 CNW; CHEMBL3183545; DTXSID9027239; CTK8C6091; NSC33870; ZINC1665962; Tox21_200747; NSC-33870; SBB057282; STL139176; AKOS005744608; FCH1115234; MCULE-9929333197; VZ34455; NCGC00248820-01; NCGC00258301-01; AC-11376; CAS-609-93-8; CC-08203; L131; LS-55390; AX8029219; TC-171056; D2166; FT-0610715; ST50308371; C-34427; Q27282735; InChI=1/C7H6N2O5/c1-4-2-5(8(11)12)7(10)6(3-4)9(13)14/h2-3,10H,1H; 6J1;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C7H6N2O5",
"molecular_weight": "198.13",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "11872",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01741",
"RC02362",
"RC02983"
]
},
{
"compound_ID": "D0740",
"name": "4-nitroanthranilic acid",
"synonyms": "2-Amino-4-nitrobenzoic acid; 619-17-0; 4-NITROANTHRANILIC ACID; Benzoic acid, 2-amino-4-nitro-; 2-Amino-4-nitrobenzoicacid; Anthranilic acid, 4-nitro-; NCI-C01945; CCRIS 441; 2-amino-4-nitro-benzoic acid; UNII-D7402082SS; HSDB 4114; NSC 7789; EINECS 210-583-5; BRN 0785071; 4-nitro-2-aminobenzoic acid; CHEBI:75335; UEALKTCRMBVTFN-UHFFFAOYSA-N; D7402082SS; DSSTox_CID_963; DSSTox_RID_75891; DSSTox_GSID_20963; 2-Amino-4-nitrobenzoic acid, 97%; CAS-619-17-0; 2-Amino-4-nitro-benzoicacid; 4-nitroanthranilate; p-Nitroanthranilic acid; PubChem10818; 4-nitrroanthranilic acid; ACMC-1B8PU; WLN: WNR C1 DVQ; 4-14-00-01087 (Beilstein Handbook Reference); KSC495A2F; SCHEMBL436780; CHEMBL1603870; DTXSID8020963; CTK3J5022; KS-00000CBC; ZINC88431; NSC7789; ACT12126; NSC-7789; Tox21_201312; Tox21_302942; ANW-33989; BBL034649; CA-253; MFCD00007262; SBB001830; STK661381; AKOS001044179; AC-2570; CS-W002027; LS-1474; MCULE-1086407001; MP-2200; PS-6128; RTR-021292; TRA0030344; NCGC00091675-01; NCGC00091675-02; NCGC00091675-03; NCGC00091675-04; NCGC00256461-01; NCGC00258864-01; AK-22082; BP-10411; BR-22082; SC-13716; SY002165; AB1005403; DB-005940; ST4062407; TR-021292; A8572; AM20060241; EU-0086006; FT-0619199; N0522; ST24032374; EN300-17254; 4-Nitroanthranilic acid, technical grade, 90%; N-2560; AB01322613-02; AN-584/40848509; SR-01000532452; Q-103154; SR-01000532452-1; Q27145223; InChI=1/C7H6N2O4/c8-6-3-4(9(12)13)1-2-5(6)7(10)11/h1-3H,8H2,(H,10,11;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C7H6N2O4",
"molecular_weight": "182.13",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "12076",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01742",
"RC02363",
"RC02984"
]
},
{
"compound_ID": "D0741",
"name": "4-nitro-n-phenylaniline",
"synonyms": "4-NITRODIPHENYLAMINE; 4-Nitro-N-phenylaniline; 836-30-6; Benzenamine, 4-nitro-N-phenyl-; p-Nitrodiphenylamine; Diphenylamine, 4-nitro-; 4-Nitrodifenylamin; 4-Ndpa; p-Nitrophenylphenylamine; 4-Nitro-diphenylamine; 4-nitro-N-phenyl-aniline; (4-nitrophenyl)phenylamine; 4-Nitrodifenylamin [Czech]; Amine, diphenyl, 4-nitro-; UNII-5ZOC179N5D; NSC 33836; N-(4-Nitrophenyl)benzenamine; CCRIS 5174; HSDB 5763; N-(4-Nitrophenyl)-N-phenylamine; EINECS 212-646-2; BRN 2051910; AI3-02915; MLS000584664; 5ZOC179N5D; XXYMSQQCBUKFHE-UHFFFAOYSA-N; SMR000203627; DSSTox_CID_7323; DSSTox_RID_78408; DSSTox_GSID_27323; CAS-836-30-6; N-Phenyl-4-nitroaniline; WLN: WNR DMR; 4-Nitrodiphenylamine, 99%; Oprea1_074824; (4-nitrophenyl)-phenyl-amine; 4-12-00-01619 (Beilstein Handbook Reference); cid_13271; SCHEMBL224794; (4-nitro-phenyl)-phenyl-amine; CHEMBL1323785; DTXSID8027323; BDBM93782; N-phenyl-N-(4-nitrophenyl)amine; HMS2605G24; NSC33836; ZINC3860846; Tox21_202300; Tox21_303333; MFCD00007301; N-(4-Nitrophenyl)-N-phenylamine #; NSC-33836; SBB008055; STK182596; AKOS000286122; AKOS015960695; MCULE-7025763535; NCGC00164030-01; NCGC00164030-02; NCGC00257118-01; NCGC00259849-01; AC-12155; LS-62878; SC-65270; U044; DB-056727; TR-015592; FT-0619232; ST24043944; ST50308059; 836N306; A840617; Q230012; SR-01000421153; SR-01000421153-1; W-104137; InChI=1/C12H10N2O2/c15-14(16)12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,13;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C12H10N2O2",
"molecular_weight": "214.22",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "13271",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01743",
"RC02364",
"RC02985"
]
},
{
"compound_ID": "D0742",
"name": "4-nitrosophenol",
"synonyms": "4-NITROSOPHENOL; p-Nitrosophenol; 104-91-6; Phenol, 4-nitroso-; Nitrosophenol; Quinone oxime; Quinone monoxime; Phenol, p-nitroso-; p-Quinone monoxime; Quinone monooxime; p-Quinone monooxime; 4-Nitrosofenol; Quinone 4-oxime; p-Benzoquinone 4-oxime; 637-62-7; 1,4-Benzoquinone monoxime; p-Chinonmonoxim; 1,4-Benzoquinone 4-oxime; 4-Benzoquinone Monoxime; para-Nitrosophenol; p-Benzoquinone, monooxime; p-Chinonmonoxim [Czech]; 4-Nitrosofenol [Czech]; NSC 3124; UNII-55EB58H2UP; NSC 239647; CCRIS 4710; 4-Hydroxyimino-2,5-cyclohexadiene-1-one; 2,5-Cyclohexadiene-1,4-dione, monooxime; HSDB 5362; EINECS 203-251-6; BRN 1856695; BRN 2040595; 2,5-Cyclohexadien-1-one, 4-hydroxyimino-; AI3-19026; 55EB58H2UP; NSC3124; JSTCPNFNKICNNO-UHFFFAOYSA-N; DSSTox_CID_5991; DSSTox_RID_77981; DSSTox_GSID_25991; 4-07-00-02073 (Beilstein Handbook Reference); W-108801; p-Benzoquinone monoxime; CAS-104-91-6; benzoquinone oxime; 4-Nitroso-phenol; p-Benzoquinone, monooxime (8CI); mono-nitroso phenol; benzoquinone monooxime; 2, 4-hydroxyimino-; 2,4-dione, monooxime; WLN: QR DNO; ACMC-1BVF6; WLN: L6V DYJ DUNQ; 1,4-benzoquinone mono-oxime; SCHEMBL107699; SCHEMBL232995; CHEMBL104353; CHEMBL3276923; DTXSID0025991; DTXSID0075287; CTK0H8028; JSTCPNFNKICNNO-UHFFFAOYSA-; NSC-3124; ZINC1669666; ZX-AT008557; Tox21_201754; Tox21_303059; FCH917241; LS-383; NSC239647; STL453714; ZINC96337078; AKOS006230373; AKOS006311740; AM86242; NSC-239647; VZ35554; KS-0000175K; NCGC00249111-01; NCGC00257216-01; NCGC00259303-01; 4-hydroxyimino-cyclohexa-2,5-dien-1-one; LS-56330; R326; SC-17657; 4-(hydroxyimino)cyclohexa-2,5-dien-1-one; TC-168616; FT-0631578; FT-0662579; N0374; 2,5-Cyclohexadiene-1,4-dione, monooxime (9CI); A801099; Q27261304; 4-Nitrosophenol(wettedwithca.40%Water)(unitweightondryweightbasis); InChI=1/C6H5NO2/c8-6-3-1-5(7-9)2-4-6/h1-4,8H; 4-Nitrosophenol (wetted with ca. 40% Water) (unit weight on dry weight basis);",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C6H5NO2",
"molecular_weight": "123.11",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "7729",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01744",
"RC02365",
"RC02986"
]
},
{
"compound_ID": "D0743",
"name": "4-octyloxybenzoic acid",
"synonyms": "2493-84-7; 4-(Octyloxy)benzoic acid; 4-Octyloxybenzoic acid; 4-n-Octyloxybenzoic acid; p-Octyloxybenzoic acid; P-N-OCTYLOXYBENZOIC ACID; p-Octoxybenzoic acid; p-(Octyloxy)benzoic acid; Benzoic acid, 4-(octyloxy)-; 4-octoxybenzoic acid; p-(n-Octyloxy)benzoic acid; Benzoic acid, p-(octyloxy)-; CCRIS 4690; UNII-04GD4OJ7FU; NSC 142138; 04GD4OJ7FU; MLS002454443; IALWCYFULVHLEC-UHFFFAOYSA-N; MFCD00013993; SMR001372025; 4-n-OctyloxybenzoicAcid; OOBA; PubChem2683; FR-0799; 4-n-octoxybenzoic acid; p-octyloxy benzoic acid; ACMC-209gfv; 4-octyloxy benzoic acid; 4-Octyloxy-benzoic acid; DSSTox_CID_5807; 4-(n-octyloxy)benzoic acid; DSSTox_RID_77929; DSSTox_GSID_25807; Benzoic acid,4-(octyloxy)-; cid_17231; SCHEMBL503567; RARECHEM AL BO 0490; CHEMBL1328156; DTXSID1025807; BDBM74417; CTK4F4671; TIMTEC-BB SBB008044; 4-(Octyloxy)benzoic acid, 98%; ZINC1726631; ZX-AH008499; ZX-AT021571; Tox21_200904; ANW-25577; BBL102166; LABOTEST-BB LT00114432; NSC142138; OR4710; SBB008044; STL555965; Benzoic acid, p-(octyloxy)- (8CI); AKOS004908118; ACM2493847; AS01063; LS-1063; MCULE-5819987684; NSC-142138; ABA-7002296; KS-000015Y1; NCGC00091132-01; NCGC00091132-02; NCGC00258458-01; AS-59104; CAS-2493-84-7; AX8019664; TR-011438; FT-0634326; O0117; ST45028130; A817563; C-51645; Q27889401;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C15H22O3",
"molecular_weight": "250.33",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "17231",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01745",
"RC02366",
"RC02987"
]
},
{
"compound_ID": "D0744",
"name": "4-octylphenol",
"synonyms": "4-OCTYLPHENOL; 4-n-Octylphenol; 1806-26-4; Phenol, 4-octyl-; p-Octylphenol; Phenol, p-octyl-; 1-(p-Hydroxyphenyl)octane; para-Octylphenol; UNII-7DF2B8LH3P; 4-Octyl-phenol; HSDB 5857; OP (TENTATIVE); EINECS 217-302-5; 7DF2B8LH3P; MLS001055340; CHEBI:34432; NTDQQZYCCIDJRK-UHFFFAOYSA-N; MFCD00036134; Phenol, octenylated; NCGC00090986-03; SMR000677939; p-octyl phenol; 4-octyl phenol; EINECS 276-174-9; Phenol, reaction product with octene; 4-Octylphenol, 99%; DSSTox_CID_2312; DSSTox_RID_76545; DSSTox_GSID_22312; SCHEMBL18809; 71902-25-5; cid_15730; BIDD:ER0059; CHEMBL195437; DTXSID9022312; BDBM74109; CTK0I1232; 4-Octylphenol, analytical standard; KS-000018CH; ZINC2039235; Tox21_400015; QC-607; SBB059157; AKOS002685659; MCULE-2695490410; NCGC00090986-01; NCGC00090986-02; NCGC00090986-04; AS-40771; ST033354; CAS-1806-26-4; 4-n-Octylphenol 10 microg/mL in Isooctane; AX8018965; LS-105015; RT-003621; FT-0619333; C14132; A812553; C-42368; J-011534; Q27116060;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C14H22O",
"molecular_weight": "206.32",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "15730",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01746",
"RC02367",
"RC02988"
]
},
{
"compound_ID": "D0745",
"name": "4-phenoxyphenol",
"synonyms": "4-PHENOXYPHENOL; 831-82-3; p-Phenoxyphenol; 4-Hydroxydiphenyl ether; Phenol, 4-phenoxy-; p-Hydroxydiphenyl ether; Phenol, p-phenoxy-; Hydroquinone monophenyl ether; UNII-D83R742GJR; 4-(phenyloxy)phenol; EINECS 212-611-1; NSC 25027; D83R742GJR; CHEBI:39264; ZSBDGXGICLIJGD-UHFFFAOYSA-N; MFCD00002331; 4-phenoxyphenol methanol clathrate; 4-phenoxy phenol; 4-phenoxy-phenol; 4-(Phenoxy)phenol; 4-(phenoxy)-phenol; PubChem22528; ACMC-209prh; 4-Phenoxyphenol, 99%; DSSTox_CID_2127; 2_vac_100K; 2_vac_293K; DSSTox_RID_76498; DSSTox_GSID_22127; SCHEMBL74847; Phenol, p-phenoxy- (8CI); KSC232S6R; CHEMBL224318; DTXSID2022127; 4-phenoxyphenol acetone clathrate; ZINC158246; CS-B0818; NSC25027; STR06800; Tox21_302190; ANW-37659; CP0050; NSC-25027; SBB090407; AKOS000119371; AS04657; LS10780; MCULE-3440699625; NE10174; PS-8471; RTR-025920; TRA0084508; VZ29217; NCGC00257532-01; AK114298; CAS-831-82-3; Q175; SC-65293; SY001783; AB1001902; DB-028997; LS-184899; TR-025920; FT-0645037; P0950; ST24023638; ST50406502; 831P823; A840521; AC-907/25014304; W-104150; Hydroquinone monophenyl ether; 4-Hydroxydiphenyl ether; Q17310077; Z1262254387; HX8;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C12H10O2",
"molecular_weight": "186.21",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "13254",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01747",
"RC02368",
"RC02989"
]
},
{
"compound_ID": "D0746",
"name": "4-styrylpyridine",
"synonyms": "4-Styrylpyridine; 103-31-1; 4-Stilbazole; 4-(2-Phenylvinyl)pyridine; Ba 35998; 4-[(E)-2-Phenylethenyl]pyridine; Ba 35988; .gamma.-Stilbazole; 4-(2-phenylethenyl)pyridine; UNII-W9282V2UV3; Pyridine, 4-styryl-; (E)-4-styrylpyridine; 4-(2-Phenylvinyl)pyridine, trans-; NSC 44776; Pyridine, 4-(2-phenylethenyl)-; QKHRGPYNTXRMSL-VOTSOKGWSA-N; W9282V2UV3; 4-((1E)-2-phenylvinyl)pyridine; gamma-Stilbazole; 4-Stilbazole, (E)-; 5097-93-8; 4-[(E)-2-phenylvinyl]pyridine; NCGC00160603-01; NCGC00160603-02; trans-4-stilbazole; EINECS 203-099-0; AI3-09317; 4-((E)-Styryl)-pyridine; MLS000722940; MLS006011483; Pyridine, 4-styryl- (8CI); SCHEMBL1509973; SCHEMBL1878225; CHEMBL1566593; HMS553B10; NSC9496; (E)-4-(2-phenylethenyl)pyridine; HMS2750O07; NSC-9496; NSC44776; ZINC1036714; 4-(2-Phenylethenyl)pyridine, (E); 0789AA; CCG-50412; NSC-44776; NSC360203; SBB089819; STL262669; AKOS000279610; NE11286; NSC-360203; pyridine, 4-[(E)-2-phenylethenyl]-; AS-47936; SMR000304935; SMR004703267; RT-001065; ST50446704; EN300-31340; 103S311; AE-641/00643053; SR-01000414340; SR-01000414340-1; SR-01000414340-2; Q27292487; F0722-3574; InChI=1/C13H11N/c1-2-4-12(5-3-1)6-7-13-8-10-14-11-9-13/h1-11H/b7-6;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C13H11N",
"molecular_weight": "181.23",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "641098",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01748",
"RC02369",
"RC02990"
]
},
{
"compound_ID": "D0747",
"name": "4-tert-butylcatechol",
"synonyms": "4-tert-Butylcatechol; 98-29-3; p-tert-Butylcatechol; 4-tert-Butylpyrocatechol; 4-(tert-butyl)benzene-1,2-diol; p-tert-Butyl catechol; 4-tert-butylbenzene-1,2-diol; 1,2-Benzenediol, 4-(1,1-dimethylethyl)-; 4-t-Butylpyrocatechol; p-tert-Butylpyrocatechol; 4-T-BUTYLCATECHOL; 4-tert-Butylcatechin; p-t-Butylpyrocatechol; t-Butyl catechol; Pyrocatechol, 4-tert-butyl-; Synox TBC; 4-tert-Butyl-1,2-benzenediol; 4-TBC; 1,2-Dihydroxy-4-tert-butylbenzene; 4-tert-Butyl-1,2-dihydroxybenzene; 4-tert-butyl catechol; 4-tert-Butylpyrokatechin; NSC 5310; CCRIS 3332; UNII-9A069144KR; 4-tert-Butylpyrokatechin [Czech]; EINECS 202-653-9; BRN 2043335; AI3-24363; XESZUVZBAMCAEJ-UHFFFAOYSA-N; 9A069144KR; NCGC00091483-03; DSSTox_CID_4687; DSSTox_RID_77499; DSSTox_GSID_24687; 4-tert-Butylcatechol, 99%; 4-tert-Butyl-pyrocatechol; CAS-98-29-3; para-tert-butyl catechol; p-tertbutylcatechol; 4-tertbutylcatechol; diallyl butanedioate; p-t-butyl catechol; 4- t-Butylcatechol; MFCD00002201; 4-tert-butylcathechol; p-tert.-butylcatechol; PubChem14587; 4-(1,1-Dimethylethyl)-1,2-benzenediol; 4k7o; 4-tert.-butyl-catechol; 4-tertiarybutyl catechol; ACMC-209s9z; 4-(tert-butyl)pyrocatechol; 4-(tertbutyl)-pyrocatechol; 4-tert.-butyl pyrocatechol; EC 202-653-9; 4-(tert-butyl)-pyrocatechol; SCHEMBL50705; 4-t-Butyl-1,2-benzenediol; 4-06-00-06014 (Beilstein Handbook Reference); KSC486S1R; MLS001065578; BIDD:ER0238; CHEMBL220845; 4-(1,1-Dimethylethyl)catechol; DTXSID5024687; 1, 4-(1,1-dimethylethyl)-; CTK3I6918; KS-00000JSQ; NSC5310; ZINC388150; 4-tert-Butylcatechol, >=99.0%; ACT03279; NSC-5310; Tox21_202989; Tox21_400003; ANW-40917; BBL011511; SBB061378; STL146627; AKOS000119685; CS-W017861; LS-2042; MCULE-6988116335; NE10153; RTR-030676; TRA0068164; NCGC00091483-01; NCGC00091483-02; NCGC00091483-04; NCGC00091483-05; NCGC00260534-01; WLN: QR BQ DX1 & 1 & 1; 4-tert-Butylcatechol (CAS 98-29-3); AC-10567; AK-48632; BP-30171; K765; SC-22458; SMR000568493; VS-02966; 4-tert-Butylcatechol, >=98.0% (HPLC); AB1009503; DB-057718; ST2411038; TR-030676; B0739; FT-0082784; FT-0619505; FT-0703873; ST50824899; Q840843; 4-tert-Butylcatechol, SAJ first grade, >=98.0%; Q-200510; Q-200511; 4-tert-Butylcatechol, technical, flakes, >=98% (HPLC); F1995-0233; Z1262246171; UNII-06J124VX0O component XESZUVZBAMCAEJ-UHFFFAOYSA-N; TBC; 4-(1,1-Dimethylethyl)-1,2-benzenediol; 4-tert-Butylpyrocatechol; 4-tert-Butylcatechol solution, >=98% (calc. to the dried substance, GC), liquid; InChI=1/C10H14O2/c1-10(2,3)7-4-5-8(11)9(12)6-7/h4-6,11-12H,1-3H; EKZ;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C10H14O2",
"molecular_weight": "166.22",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "7381",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01749",
"RC02370",
"RC02991"
]
},
{
"compound_ID": "D0748",
"name": "4-tert-butylphenyl salicylate",
"synonyms": "4-tert-Butylphenyl salicylate; 87-18-3; Sumisorb 90; Viosorb 90; Seesorb 202; UV Absorber NL 3; Salicyclic acid p-tert-butylphenyl ester; Salicylic Acid 4-tert-Butylphenyl Ester; p-tert-Butylphenyl salicylate; UV Absorber NL/3; UNII-V0H9R55TGV; p-tert-Butylphenylsalicylate; Benzoic acid, 2-hydroxy-, 4-(1,1-dimethylethyl)phenyl ester; Salicylic acid, p-tert-butylphenyl ester; p-terc.Butylfenylester kyseliny salicylove; EINECS 201-728-3; NSC 33404; Salicylic acid p-tert-butylphenyl ester; BRN 2130191; V0H9R55TGV; DBOSBRHMHBENLP-UHFFFAOYSA-N; p-terc.Butylfenylester kyseliny salicylove [Czech]; 4-tert-butylphenyl 2-hydroxybenzoate; 4-(tert-Butyl)phenyl 2-hydroxybenzoate; (4-tert-butylphenyl) 2-hydroxybenzoate; ACMC-209qif; p-t-butylphenyl salicylate; DSSTox_CID_17745; DSSTox_RID_79371; DSSTox_GSID_37745; SCHEMBL77201; 3-10-00-00133 (Beilstein Handbook Reference); 4-(t-Butylphenyl) salicyclate; CHEMBL3186746; DTXSID9037745; CTK5F8038; DBOSBRHMHBENLP-UHFFFAOYSA-; Salicylic acid 4-tert-butylphenyl; NSC33404; ZINC1665640; Tox21_303577; ANW-38629; NSC-33404; AKOS015838937; CAS-87-18-3; NCGC00257374-01; salicylic acid-4-tert.-butylphenyl ester; DB-056978; LS-144273; TR-027288; FT-0631412; S0274; Benzoic acid, 4-(1,1-dimethylethyl)phenyl ester; C-50193; Q27291379; Benzoic acid,2-hydroxy-, 4-(1,1-dimethylethyl)phenyl ester; InChI=1/C17H18O3/c1-17(2,3)12-8-10-13(11-9-12)20-16(19)14-6-4-5-7-15(14)18/h4-11,18H,1-3H3;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C17H18O3",
"molecular_weight": "270.32",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "66597",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01750",
"RC02371",
"RC02992"
]
},
{
"compound_ID": "D0749",
"name": "5,7-dichloro-8-hydroxy-2-methylquinoline",
"synonyms": "Chlorquinaldol; 72-80-0; 5,7-Dichloro-8-hydroxyquinaldine; 5,7-dichloro-2-methylquinolin-8-ol; Chloroquinaldol; 5,7-Dichloro-2-methyl-8-quinolinol; Clorquinaldol; Sterosan; 5,7-Dichloro-8-quinaldinol; 5,7-Dichloro-8-hydroxy-2-methylquinoline; Chlorchinaldol; Siasteran; Siosteran; Steroxin; Siogene; Chlorchinaldolum; Chlorquinaldolum; Gyno-sterosan; 8-QUINOLINOL, 5,7-DICHLORO-2-METHYL-; Chloquinan; Hydroxydichloroquinaldine; 5,7-Dichloro-2-methyl-8-hydroxyquinoline; Clorchinaldolo [DCIT]; Siogen; 5,7-Dichloro-2-methyl-quinolin-8-ol; UNII-D6VHC87LLS; C10H7Cl2NO; Clorquinaldol [INN-Spanish]; Chlorquinaldolum [INN-Latin]; Chlorquinaldol [INN:BAN:DCF]; EINECS 200-789-3; D6VHC87LLS; BRN 0156683; MLS002695929; CHEBI:74500; GPTXWRGISTZRIO-UHFFFAOYSA-N; NCGC00095795-04; Clorchinaldolo; SMR001549973; 2-methyl-5,7-dichloro-8-hydroxyquinoline; 5,7-bis(chloranyl)-2-methyl-quinolin-8-ol; DSSTox_CID_28924; DSSTox_RID_83190; DSSTox_GSID_48998; Chlorchinaldine; Chlorchinaldin; Chlorguinaldon; CHLORQUINALDOL, Chlorquinaldol (5,7-Dichloro-2-methyl-8-quinolinol); CAS-72-80-0; Gynotherax; Vagisteran; Florabina; Saprosan; Siogenal; Siogeno; Siogenon; Siosept; Sterozan; Quesil; PubChem7553; Chlorquinaldol (INN); 5,7-Dichloro-2-me; Hydroxydichloroquinaldinol; Spectrum2_000524; Spectrum3_001092; Spectrum4_001263; cid_6301; Oprea1_721210; BSPBio_002764; KBioGR_001846; SPECTRUM212151; 5-21-03-00346 (Beilstein Handbook Reference); SCHEMBL301405; SPBio_000507; CHEMBL224325; DTXSID3048998; BDBM76302; KBio3_001984; KS-00000XNR; HMS3089A18; HMS3264I07; HMS3652H09; Pharmakon1600-00212151; ZINC119403; BCP11865; HY-B1360; Tox21_113490; CCG-39580; MFCD00023984; NSC755830; s4192; SBB037925; STL502989; AKOS000119838; Tox21_113490_1; CS-4899; DB13306; MCULE-9796243224; NSC-755830; PS-7753; NCGC00095795-01; NCGC00095795-02; NCGC00095795-03; NCGC00095795-06; AC-29743; AK164484; Quinolin-8-ol, 5,7-dichloro-2-methyl-; SC-06541; ST085312; SBI-0207012.P001; DB-055679; LS-142535; TC-071397; FT-0623717; SW220230-1; A16448; D07208; J10451; M-1867; 5,7-Dichloro-8-hydroxy-2-methylquinoline, 98%; AB00443827_06; AB00443827_07; A837624; SR-01000872737; Q1645622; SR-01000872737-1; W-104478; Z118257784;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C10H7Cl2NO",
"molecular_weight": "228.07",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "6301",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01751",
"RC02372",
"RC02993"
]
},
{
"compound_ID": "D0750",
"name": "5alpha-dihydrotestosterone",
"synonyms": "dihydrotestosterone; STANOLONE; Androstanolone; 521-18-6; Andractim; Androlone; Anaboleen; Anabolex; Proteina; Stanaprol; Neodrol; Protona; Cristerona MB; 4-Dihydrotestosterone; 5alpha-Dihydrotestosterone; 17beta-Hydroxy-5alpha-androstan-3-one; DHT; Androstanolona; Androstanolonum; 5alpha-Androstan-17beta-ol-3-one; 5-alpha-Dihydrotestosterone; Testosterone, dihydro-; 4,5alpha-Dihydrotestosterone; Stanolon; Stanorone; Dihydrotestosteron; 17beta-Hydroxyandrostan-3-one; 5alpha-DHT; LG 152; 17beta-Hydroxy-3-androstanone; 5alpha-Dihydroxytestosterone; Androstan-17beta-ol-3-one; NSC 10972; 5alpha,17beta-Hydroxyandrostan-3-one; Androstanolonum [INN-Latin]; Androstanolona [INN-Spanish]; 4,5-alpha-Dihydrotestosterone; UNII-08J2K08A3Y; CHEBI:16330; 17-beta-Hydroxy-5-alpha-androstan-3-one; 5alpha-dihydrotesosterone; 5alpha dihydrotestosterone; EINECS 208-307-3; 5alpha,17eta-Hydroxyandrostan-3-one; 5-alpha-Androstan-17-beta-ol-3-one; 5.alpha.-Dihydrotestosterone; CHEMBL27769; (5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one; 4,5.alpha.-Dihydrotestosterone; (5alpha,17beta)-17-hydroxyandrostan-3-one; 17beta-Hydroxy-androstan-3-one; 5-alpha-Androstan-3-one, 17-beta-hydroxy-; Androstan-3-one, 17-hydroxy-, (5a,17b)-; 17.beta.-Hydroxy-3-androstanone; (5-alpha,17-beta)-17-Hydroxyandrostan-3-one; NVKAWKQGWWIWPM-ABEVXSGRSA-N; 08J2K08A3Y; Androstan-3-one, 17-hydroxy-, (5alpha,17beta)-; NSC-10972; Androstanolone (INN); Androstanolone [INN]; 17beta-Hydroxy-5alpha-androstane-3-one; 5.alpha.-Androstan-17.beta.-ol-3-one; NCGC00091013-01; 5alpha-Androstan-3-one, 17beta-hydroxy-; 5.alpha.,17.beta.-Hydroxyandrostan-3-one; DSSTox_CID_2364; DSSTox_RID_76558; DSSTox_GSID_22364; [3H]DHT; Stanolone [BAN]; CAS-521-18-6; 5-.alpha.-Androstanolone; 5.alpha.-Androstan-3-one, 17.beta.-hydroxy-; 17-Hydroxyandrostan-3-one; [3H]dihydrotestosterone; [3H]-dihydrotestosterone; Androstan-17.beta.-ol-3-one; Andrin; (+)-Androstan-17.beta.-ol-3-one; 1kdk; 2ama; Andractim (TN); (5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyltetradecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one; 5-a-Androstanolone; 5alpha-Androstanolone; 5a-Dihydrotestosterone; 17-.beta.-Hydroxy-5-.alpha.-androstan-3-one; 5-alpha-Androstanolone; 1d2s; 1t5z; 1t7r; dihydrotestosterone (dht); (5.alpha.,17.beta.)-17-Hydroxy-androstan-3-one; 4,5a-Dihydrotestosterone; Androstan-17b-ol-3-one; Epitope ID:135868; 17-Hydroxyandrostan-3-one, (5.alpha.,17.beta.)- #; EC 208-307-3; 17b-Hydroxy-3-androstanone; BIDD:PXR0075; SCHEMBL15163; 17-Hydroxy-androstan-3-one; MLS001304063; 5a-Androstan-17b-ol-3-one; BIDD:ER0136; 5.alpha.-Dihydroxytestosterone; 5A-Androstan-3-on-17B-ol; 5B-Androstan-3-on-17B-ol; GTPL2856; GTPL3455; 17-beta-hydroxyandrostan-3-one; DTXSID9022364; BDBM18161; 1t63; (+)-Androstan-17beta-ol-3-one; HMS2272H05; HY-A0120; NSC10972; ZINC3814360; Tox21_111056; Tox21_200987; Tox21_303655; BDBM50366473; LMST02020042; s4757; AKOS015894892; API0004234; CS-5096; DB02901; EBD2157869; GS-6587; MCULE-5987413622; NCGC00091013-02; NCGC00091013-03; NCGC00257456-01; NCGC00258540-01; 17beta-hydroxy-3-oxo-5alpha-androstanone; AC-16144; AK173346; CC-34536; LS-19384; SC-16121; SMR000058342; AB0108935; 5alpha-Androstan-17beta-ol-3-one, >=97.5%; C03917; D07456; Z-2983; 521S186; 5alpha-Androstan-3-one, 17beta-hydroxy- (8CI); C-18235; Q411054; Androstanolone (5alpha-Dihydrotestosterone; Stanolone); Androstan-3-one, 17-hydroxy-, (5alpha,17beta)- (9CI); 5alpha-Androstan-17beta-ol-3-one, purum, >=99.0% (TLC); 5alpha-Androstan-17beta-ol-3-one, VETRANAL(TM), analytical standard; Androstanolone (5alpha-Dihydrotestosterone; Stanolone) 1.0 mg/ml in Acetonitrile; (1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethyltetracyclo[8.7.0.0;{2,7}.0;{11,15}]heptadecan-5-one; (1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-one; (5S,8R,10S,13S,17S)-17-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-one; 17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,13,14,15,16, 17-hexadecahydrocyclopenta[a]phenanthren-3-one; 5alpha-Dihydrotestosterone (DHT) solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C19H30O2",
"molecular_weight": "290.4",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "10635",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01752",
"RC02373",
"RC02994"
]
},
{
"compound_ID": "D0751",
"name": "5hpp-33",
"synonyms": "5HPP-33; 105624-86-0; CHEMBL313952; 2-(2,6-diisopropylphenyl)-5-hydroxyisoindoline-1,3-dione; DSSTox_CID_26970; DSSTox_RID_82029; DSSTox_GSID_46970; SCHEMBL173289; DTXSID1046970; CTK8F1056; HMS3263J10; Tox21_300631; Tox21_501244; BDBM50075328; ZINC13777007; CCG-222548; LP01244; NCGC00248115-01; NCGC00254282-01; NCGC00261929-01; 5HPP-33, >=98% (HPLC), solid; RT-010438; CAS-105624-86-0; J-001460; 2-(2,6-Diisopropyl-phenyl)-5-hydroxy-isoindole-1,3-dione;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C20H21NO3",
"molecular_weight": "323.4",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "11723708",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01753",
"RC02374",
"RC02995"
]
},
{
"compound_ID": "D0752",
"name": "Busulfan",
"synonyms": "",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C6H14O6S2",
"molecular_weight": "246.3",
"state": "solid",
"clearance": "* 2.52 ml/min/kg [Following an infusion of dose of 0.8 mg/kg every six hours, for a total of 16 doses over four days]",
"volume_of_distribution": "",
"route_of_elimination": "Following administration of 14C- labeled busulfan to humans, approximately 30% of the radioactivity was excreted into the urine over 48 hours; negligible amounts were recovered in feces. Less than 2% of the administered dose is excreted in the urine unchanged within 24 hours. Elimination of busulfan is independent of renal function.",
"protein_binding": "32% bound to plasma proteins and 47% bound to red blood cells.",
"half_life": "2.6 hours",
"absorption": "Completely absorbed from the gastrointestinal tract. Busulfan is a small, highly lipophilic molecule that crosses the blood-brain-barrier. The absolute bioavailability, if a single 2 mg IV bolus injection is given to adult patients, is 80% ± 20%. In children (1.5 - 6 years old), the absolute bioavailability was 68% ± 31%. When a single oral dose is given to patients, the area under the curve (AUC) was 130 ng•hr/mL. The peak plasma concentration when given orally is 30 ng/mL (after dose normalization to 2 mg). It takes 0.9 hours to reach peak plasma concentration after dose normalization to 4 mg.",
"cid": "2478",
"classification": "L",
"indications": "",
"side_effects": "",
"atc_codes": "L01AB01",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T002",
"T408"
],
"function": [
"F0108",
"F0201",
"F0303"
],
"references": [
"RC01754",
"RC02375",
"RC02996",
"RC04035",
"RC04159",
"RC04283",
"RC04407",
"RC04531"
]
},
{
"compound_ID": "D0753",
"name": "5-nitroacenaphthene",
"synonyms": "5-NITROACENAPHTHENE; 602-87-9; 5-Nitro-1,2-dihydroacenaphthylene; 5-Nitroacenapthene; Acenaphthylene, 1,2-dihydro-5-nitro-; Acenaphthene, 5-nitro-; 5-Nan; 1,2-Dihydro-5-nitro-acenaphthylene; 5-Nitronaphthalene ethylene; 5-Nitronaphthalene; NCI-C01967; 1,2-Dihydro-5-nitroacenaphthylene; CCRIS 438; UNII-F023F6C79X; 5-Nitro-acenaphthene; HSDB 4092; NSC 1312; EINECS 210-025-0; NSC 22421; BRN 1876864; CHEBI:82350; CUARLQDWYSRQDF-UHFFFAOYSA-N; F023F6C79X; MFCD00014277; Acenaphthylene,2-dihydro-5-nitro-; WLN: L566 1A LT&&J HNW; 5-:nitroacenaphthene; zlchem 567; ACMC-209sgj; DSSTox_CID_960; 5-Nitroacenaphthene, 85%; DSSTox_RID_75888; DSSTox_GSID_20960; 4-05-00-01840 (Beilstein Handbook Reference); SCHEMBL267240; CHEMBL423081; DTXSID3020960; CTK5B1248; NSC1312; ZLC0432; ZINC977211; KS-000016IG; NSC-1312; NSC22421; ZX-AT006715; 5-Nitroacenaphthene, 85% (Assay); Tox21_302877; ANW-41153; BBL034664; NSC-22421; OR7752; SBB067227; STL428868; 5-Nitro-1,2-dihydroacenaphthylene #; Acenaphthylene,1,2-dihydro-5-nitro-; AKOS000121350; AC-4959; LS-1436; MCULE-8952865434; TRA0053422; VZ30518; NCGC00091685-01; NCGC00091685-02; NCGC00256570-01; CAS-602-87-9; SC-46897; VS-12631; DB-050495; TR-020837; FT-0620701; N0105; ST24024161; ST50826626; W7281; C19269; 5-Nitroacenaphthene(contains3-Nitroacenaphthene); A832670; C-51730; J-517853; Q27155891;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C12H9NO2",
"molecular_weight": "199.2",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "11769",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01755",
"RC02376",
"RC02997"
]
},
{
"compound_ID": "D0754",
"name": "6-hydroxy-2-naphthyl disulfide",
"synonyms": "6088-51-3; 6-Hydroxy-2-naphthyl disulfide; DDD (analytical); 2,2'-Dihydroxy-6,6'-dinaphthyldisulfide; Bis(6-hydroxy-2-naphthyl) disulfide; 2-Naphthalenol, 6,6'-dithiobis-; 6,6'-Dithiodi-2-naphthol; 6,6'-Dithiobis-2-naphthalenol; PIR 3.5; UNII-Y4YW3C2D2S; 2,2'-Dihydroxy-6,6'-dinaphthyl disulfide; 6-Hydroxy-2-naphthyldisulfide; CCRIS 6047; 2-Naphthol, 6,6'-dithiodi-; 6,6'-Disulfanediylbis(naphthalen-2-ol); 2,2'-Dihydroxy-6,6'-naphthyl disulfide; EINECS 228-025-4; NSC 87629; DDD (6-hydroxy-2-naphthyl disulfide); Y4YW3C2D2S; 6,6'-dithiodi(2-naphthol); 6,6'-dithiobis(2-naphthol); AI3-61075; NSC87629; 6-[(6-hydroxy-2-naphthyl)disulfanyl]naphthalen-2-ol; 6-[(6-hydroxynaphthalen-2-yl)disulfanyl]naphthalen-2-ol; DSSTox_CID_5429; DSSTox_RID_77783; DSSTox_GSID_25429; CAS-6088-51-3; ACMC-209mmz; DDD0; 2,6'-naphthyl disulfide; 2-Naphthol,6'-dithiodi-; 2,6'-dinaphthyl disulfide; NCIOpen2_009428; 6,6'-Dithiodi-2-naphthtol; SCHEMBL146470; 2-Naphthalenol,6'-dithiobis-; CHEMBL1489064; DTXSID7025429; AHXGXXJEEHFHDK-UHFFFAOYSA-; CTK8B2012; 2-Naphthalenol,6,6'-dithiobis-; ZINC1562198; Tox21_200789; Tox21_303354; 6,6'-disulfanediyldinaphthalen-2-ol; 6545AF; ANW-33609; LS-266; NSC-87629; SBB005947; AKOS000267803; MCULE-2620524693; VZ21967; 2-Naphthol, 6,6'-dithiodi- (8CI); NCGC00091570-01; NCGC00091570-02; NCGC00091570-03; NCGC00257271-01; NCGC00258343-01; AS-60213; ST056180; 6,6'-Dihydroxy-2,2'-dinaphthyl disulfide; DB-053731; TR-020989; B5541; D0244; FT-0635967; A832938; C-20629; 6-(6-hydroxynaphthalen-2-yl)disulfanylnaphthalen-2-ol; Q27294275; 6-[(6-hydroxy-2-naphthalenyl)disulfanyl]-2-naphthalenol; 6-[(6-oxidanylnaphthalen-2-yl)disulfanyl]naphthalen-2-ol; InChI=1/C20H14O2S2/c21-17-5-1-15-11-19(7-3-13(15)9-17)23-24-20-8-4-14-10-18(22)6-2-16(14)12-20/h1-12,21-22H;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C20H14O2S2",
"molecular_weight": "350.5",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "22463",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01756",
"RC02377",
"RC02998"
]
},
{
"compound_ID": "D0755",
"name": "6-nitrobenzimidazole",
"synonyms": "5-NITROBENZIMIDAZOLE; 6-Nitrobenzimidazole; 94-52-0; 5-nitro-1H-benzo[d]imidazole; 5-Nitro-1H-benzimidazole; 1H-Benzimidazole, 5-nitro-; 1H-Benzimidazole, 6-nitro-; 6-Nitro-1H-benzimidazole; 6-Nitro-benzimidazole; 5(6)-Nitrobenzimidazole; Benzimidazole, 5-nitro-; Benzimidazole, 6-nitro-; NCI-C01912; UNII-A7V95AYT2T; 5-Nitro-1H-benzoimidazole; CCRIS 442; 6-nitro-1H-1,3-benzodiazole; HSDB 2864; NSC 3068; EINECS 202-341-2; NSC 58858; A7V95AYT2T; AI3-52609; MLS002637666; CHEMBL164921; 5-nitro-1H-1,3-benzodiazole; XPAZGLFMMUODDK-UHFFFAOYSA-N; 1H-BENZIMIDAZOLE,5-NITRO-; MFCD00005604; DSSTox_CID_965; Benzimidazole, 5(or 6)-nitro- (6CI,7CI); DSSTox_RID_75893; DSSTox_GSID_20965; 89843-47-0; WLN: T56 BM DNJ HNW; CAS-94-52-0; 4msa; 2ZM; 5-nitrobenzoimidazol; 5-nitrobenzoimidazole; 5-nitro-benzimidazole; PubChem7543; 4n9c; ACMC-209rse; 5(6)-nitro-benzimidazole; 6-Nitro-1H-benzoimidazole; 1h-benzimidazole,6-nitro-; Oprea1_525754; Oprea1_664147; SCHEMBL271340; 5-nitro-1H-1,3-benzimidazole; DTXSID8020965; CTK2I9581; CTK3J0760; KS-00000WQW; Benzimidazole, 5-nitro- (8CI); NSC3068; HMS3079A05; BCP26862; NSC-3068; NSC58858; ZINC4693007; Tox21_201684; Tox21_302828; ANW-40284; ANW-46429; BBL007924; BDBM50208881; NSC-58858; SBB046252; STK299272; AKOS000275609; AKOS003790796; AKOS015970456; LS-1964; MCULE-7385886412; RTR-032834; NCGC00091868-01; NCGC00091868-02; NCGC00091868-03; NCGC00091868-04; NCGC00091868-05; NCGC00091868-06; NCGC00256398-01; NCGC00259233-01; AC-11286; AK-86195; AM808099; AS-46775; SC-07411; SMR001305771; AB1001576; DB-057506; ST2406329; TC-135174; TR-032834; BB 0219456; EU-0067493; FT-0620702; N0152; ST45061660; T8309; V2292; L-1302; 040B457; AE-641/30196001; SR-01000394488; SR-01000394488-1; W-100194; Q27273738; F0020-1984; InChI=1/C7H5N3O2/c11-10(12)5-1-2-6-7(3-5)9-4-8-6/h1-4H,(H,8,9;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C7H5N3O2",
"molecular_weight": "163.13",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "7195",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01757",
"RC02378",
"RC02999"
]
},
{
"compound_ID": "D0756",
"name": "6-nitroquinoline",
"synonyms": "6-Nitroquinoline; 613-50-3; QUINOLINE, 6-NITRO-; 6-Nitro-quinoline; CCRIS 456; UNII-7033583N3J; NSC 4141; EINECS 210-346-6; BRN 0136138; AI3-08863; SMHPLBXIVNQFBA-UHFFFAOYSA-N; MFCD00006799; 7033583N3J; NSC4141; 6-nitro quinoline; zlchem 253; PubChem20822; ACMC-1BCWL; DSSTox_CID_984; 6-Nitroquinoline, 98%; DSSTox_RID_75906; DSSTox_GSID_20984; Oprea1_316994; Oprea1_756562; 5-20-07-00326 (Beilstein Handbook Reference); KSC183E1L; SCHEMBL366012; CHEMBL353078; DTXSID1020984; KS-00000FOK; ZLC0063; ZINC331721; ACT06145; BCP27373; EBD22708; NSC-4141; STR06205; Tox21_200508; ANW-75512; BBL034646; SBB069204; STL426671; AKOS000131406; AC-5110; ACN-036036; CS-W017512; LS-7561; LS20704; MCULE-5295943927; RTC-062234; TRA0029722; NCGC00248666-01; NCGC00258062-01; AK-30062; BR-30062; CAS-613-50-3; SC-26712; SY008973; AB0020539; AB1007161; DB-012204; TC-062234; 2-Naphthalenecarbonitrile; 2-Cyanonaphtalene; FT-0621280; N0252; ST24029835; ST50036739; V1443; A15691; M-2734; AC-907/25014227; SR-01000473458; J-200080; SR-01000473458-1; Q27265819; F0848-0299; InChI=1/C9H6N2O2/c12-11(13)8-3-4-9-7(6-8)2-1-5-10-9/h1-6;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C9H6N2O2",
"molecular_weight": "174.16",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "11945",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01758",
"RC02379",
"RC03000"
]
},
{
"compound_ID": "D0757",
"name": "9,10-dihydrobenzo[a]pyren-7(8h)-one",
"synonyms": "3331-46-2; 9,10-Dihydro-8H-benzo[def]chrysen-7-one; 9,10-dihydrobenzo[a]pyren-7(8h)-one; 9,10-Dihydrobenzo(a)pyren-7(8H)-one; 9,10-Dihydrobenzo[pqr]tetraphen-7(8H)-one; UNII-61Z04YQ9CJ; 9,10-Dihydrobenzo[a]pyrene-7(8H)-one; 61Z04YQ9CJ; 9,10-dihydrobenzo[a]pyrene-7[8h]-one; Benzo[a]pyren-7(8H)-one,9,10-dihydro-; 7-Oxo-7,8,9,10-tetrahydrobenzo(a)pyrene; 7-Oxo-7,8,9,10-tetrahydrobenzo[a]pyrene; NSC30830; EINECS 222-055-1; NSC 30830; PubChem13930; ACMC-209xrp; Benzo[a]pyren-7(8H)-one, 9,10-dihydro-; DSSTox_CID_29127; DSSTox_RID_83346; DSSTox_GSID_49271; SCHEMBL531158; CHEMBL3183759; DTXSID1049271; CTK4H0366; AIGDHFJPKNZUOR-UHFFFAOYSA-N; ACT05049; ZINC1661373; Tox21_202913; ANW-48035; NSC-30830; 9,10-dihydrobenzo[a]pyren-7(8h)one; AKOS015899524; AS06637; 7-Oxo-7,9,10-tetrahydrobenzo[a]pyrene; Benzo[a]pyren-7(8H)-one,10-dihydro-; NCGC00260459-01; AS-37644; BR-44647; CAS-3331-46-2; AB0006183; AX8033252; DB-068803; ST2419082; TC-136780; A5944; FT-0630208; ST50826037; W5501; 9,10-Dihydrobenzo[def]chrysen-7(8H)-one #; S-4467; 9,10-Dihydrobenzo[a]pyrene-7(8H)-one, 97%; 331D462; C-29980; J-019140; Q27263402; Benzo(a)pyren-7(8H)-one, 9,10-dihydro- (8CI)(9CI); pentacyclo[10.6.2.0(2),?.0?,(1)?.0(1)?,(2)?]icosa-1,7,9,11,13,15,17,19-octaen-6-one;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C20H14O",
"molecular_weight": "270.3",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "95717",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01759",
"RC02380",
"RC03001"
]
},
{
"compound_ID": "D0758",
"name": "9-aminoacridine, monohydrochloride, monohydrate",
"synonyms": "52417-22-8; 9-Aminoacridine hydrochloride monohydrate; acridin-9-amine hydrochloride hydrate; 9-Aminoacridine hydrochloride hydrate; 9-Acridinamine, monohydrochloride, monohydrate; Aminacrine hydrochloride monohydrate; NCGC00091950-01; 9-Aminoacridine, monohydrochloride, monohydrate; UNII-64F149315C; acridin-9-amine;hydrate;hydrochloride; MFCD00150071; CCRIS 6208; Acridin-9-ylamine; 64F149315C; DSSTox_CID_4457; DSSTox_RID_77405; DSSTox_GSID_24457; MLS000780068; 9-ACRIDAMINE, MONOHYDROCHLORIDE, MONOHYDRATE; acridine-9-ylamine, chloride, hydrate; CAS-52417-22-8; SMR000420251; Aminoacridine Hydrochloride Monohydrate (9-Aminoacridine Hydrochloride Monohydrate); F2179-0009; ACMC-1AYA1; C13H10N2.HCl.H2O; SCHEMBL1143741; CHEMBL1308088; DTXSID7024457; CTK3J1211; KUC110918C; 9-Acridinamine hydrochloride hydrate; Tox21_111187; Tox21_200788; 6093AF; ANW-31460; SBB003163; 9-AminoacridineHydrochlorideMonohydrate; AKOS024348937; Tox21_111187_1; RTR-031109; TRA0077072; KS-0000152N; KSC-280-056; NCGC00091950-02; NCGC00091950-03; NCGC00091950-04; NCGC00094857-05; NCGC00258342-01; TR-031109; FT-0640066; ST50826835; 9-Aminoacridine hydrochloride monohydrate, 98%; Q27894318;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C13H13ClN2O",
"molecular_weight": "248.71",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "2723598",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01760",
"RC02381",
"RC03002"
]
},
{
"compound_ID": "D0759",
"name": "9-anthracenemethanol",
"synonyms": "9-Anthracenemethanol; 1468-95-7; anthracen-9-ylmethanol; 9-Hydroxymethylanthracene; 9-Anthrylcarbinol; 9-(Hydroxymethyl)anthracene; 9-Methylolanthracene; 9-Anthrylmethanol; 9-Hydroxymethylantracene; 9-anthracene methanol; Anthracene-9-carbinol; NSC 241166; CCRIS 7297; EINECS 215-998-5; BRN 1873402; (ANTHRACEN-9-YL)METHANOL; JCJNNHDZTLRSGN-UHFFFAOYSA-N; 9-anthrylmethan-1-ol; AK-47531; 9-Anthracenemethanol, 98%; W-108120; 9-anthacenemethanol; 9-anthracenylmethanol; 9-Anthrylmethanol #; 9-Anthracene carbinol; PubChem20910; anthracen-9-yl-methanol; ACMC-1BON6; 9-Anthracenemethanol, 97%; DSSTox_CID_29077; DSSTox_RID_83296; DSSTox_GSID_49221; SCHEMBL59671; KSC176E0R; 9-?(Hydroxymethyl)?anthracene; (anthracen-9-yl)methyl alcohol; CHEMBL3188668; DTXSID1049221; CTK0H6208; JCJNNHDZTLRSGN-UHFFFAOYSA-; ACN-S003513; KS-000008YE; ZINC1763653; ZX-AT016130; Tox21_202965; ANW-21037; MFCD00001264; NSC241166; SBB058637; STK387951; AKOS000312312; AC-5807; CS-W019652; EBD2203591; LS11663; MCULE-6105648723; NSC-241166; RTR-005843; TRA0046596; NCGC00260511-01; AS-12086; BR-47531; CC-23514; LS-20355; SC-46662; ST080675; SY011473; CAS-1468-95-7; AX8015849; DB-002624; ST2412611; TR-005843; FT-0085112; FT-0621620; Q-9190; 468A957; A808564; C-10626; Z235448428; InChI=1/C15H12O/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9,16H,10H2;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C15H12O",
"molecular_weight": "208.25",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "73848",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01761",
"RC02382",
"RC03003"
]
},
{
"compound_ID": "D0760",
"name": "9-cyanoanthracene",
"synonyms": "9-Anthracenecarbonitrile; 9-Cyanoanthracene; 1210-12-4; anthracene-9-carbonitrile; 9-Anthronitrile; UNII-6D39005L8T; KEQZHLAEKAVZLY-UHFFFAOYSA-N; 6D39005L8T; 9-Anthrracenecarbonitrile; 9-cyanoantracene; EINECS 214-909-7; NSC 26997; PubChem20419; 9-Anthronitrile (8CI); ACMC-209a8z; DSSTox_CID_29065; DSSTox_RID_83284; DSSTox_GSID_49209; SCHEMBL32211; 9-Anthracenecarbonitrile, 97%; CHEMBL3185506; DTXSID3049209; NSC26997; ZINC1634270; ZX-AT022277; Tox21_202963; 9-AnthracencarbonsA currencyurenitril; ANW-17553; CA-179; NSC-26997; SBB057191; AKOS000304445; MCULE-6795973171; OR11320; NCGC00260509-01; S331; CAS-1210-12-4; DB-061846; TR-003451; FT-0621616; ST50825509; A24476; A804634; 3-nitro-benzenesulfonamid;m-nitrobenzenesulphonamide; J-004426; Q27264531; InChI=1/C15H9N/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C15H9N",
"molecular_weight": "203.24",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "14586",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01762",
"RC02383",
"RC03004"
]
},
{
"compound_ID": "D0761",
"name": "9-nitroanthracene",
"synonyms": "9-NITROANTHRACENE; 602-60-8; Anthracene, 9-nitro-; 5-Nitroanthracene; 9-Nitro-anthracene; UNII-JZ1TB3N57P; CCRIS 4679; EINECS 210-021-9; NSC 47175; JZ1TB3N57P; CHEBI:82501; LSIKFJXEYJIZNB-UHFFFAOYSA-N; NCGC00091602-02; W-203247; 9-Nitro anthracene; PubChem15119; ACMC-20ab5c; 9-Nitroanthracene, 93%; DSSTox_CID_5730; DSSTox_RID_77896; DSSTox_GSID_25730; SCHEMBL57759; MLS002454383; CHEMBL166112; DTXSID5025730; CTK2F8141; LSIKFJXEYJIZNB-UHFFFAOYSA-; HMS3039K17; ZINC157489; NSC47175; Tox21_400025; 8981AB; ANW-65374; NSC-47175; SBB069528; STK044217; AKOS003595740; LS-1435; MCULE-1577784817; NCGC00091602-01; NCGC00091602-03; AK102814; AS-56867; CAS-602-60-8; SMR001372000; AX8234353; DB-022278; TR-020832; FT-0621681; N0987; ST24024596; ST45021344; C19470; 602N608; A832660; Q27156005; 9-Nitroanthracene, BCR(R) certified Reference Material; 9-Nitroanthracene, matrix substance for MALDI-MS, >=98.5% (HPLC); InChI=1/C14H9NO2/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C14H9NO2",
"molecular_weight": "223.23",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "11767",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01763",
"RC02384",
"RC03005"
]
},
{
"compound_ID": "D0762",
"name": "9-phenanthrol",
"synonyms": "Phenanthren-9-ol; 9-PHENANTHROL; 9-Hydroxyphenanthrene; 9-Phenanthrenol; 484-17-3; UNII-9FYU45OV9H; NSC 50554; CCRIS 1840; EINECS 207-602-4; BRN 2047057; 9FYU45OV9H; CHEBI:28820; DZKIUEHLEXLYKM-UHFFFAOYSA-N; phenanthrene-9-ol; ACMC-1AD67; DSSTox_CID_27592; DSSTox_RID_82439; DSSTox_GSID_47592; 4-06-00-04937 (Beilstein Handbook Reference); SCHEMBL508755; 9-Phenanthrol, technical grade; GTPL4114; CHEMBL2407182; DTXSID9047592; CTK1D6170; DZKIUEHLEXLYKM-UHFFFAOYSA-; ZINC967824; KS-000018CG; NSC50554; Tox21_300618; 6618AB; ANW-63236; NSC-50554; AKOS015856392; TP-0037; TRA0072148; NCGC00248109-01; NCGC00254471-01; CAS-484-17-3; CC-23562; AX8015175; DB-022746; LS-102950; B7728; FT-0632197; ST50825370; C11430; 484H173; C-08720; J-519521; Q24063303; InChI=1/C14H10O/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9,15H;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C14H10O",
"molecular_weight": "194.23",
"state": "solid",
"clearance": "",
"volume_of_distribution": "The volume of distribution at steady-state appeared to be significantly dose dependent: 78 ml/kg for doses < or = 20 microg/kg and 88 ml/kg for doses > 20 microg/kg respectively",
"route_of_elimination": "Mostly via the kidney as metabolites",
"protein_binding": "98.7% protein bound, mainly to albumin",
"half_life": "8 to 11 hours.",
"absorption": "Rapidly absorbed orally with greater than 60% bioavailability. Peak plasma levels are attained 1 to 3 hours following oral administration.",
"cid": "10229",
"classification": "B",
"indications": "",
"side_effects": "",
"atc_codes": "B01AA07",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01764",
"RC02385",
"RC03006"
]
},
{
"compound_ID": "D0763",
"name": "acenocoumarol",
"synonyms": "ACENOCOUMAROL; Acenocoumarin; Nicoumalone; 152-72-7; Nitrovarfarian; Nitrowarfarin; Nicumalon; Sinthrome; Sintrom; Acenocumarol; Sinkumar; Syncoumar; Syncumar; Acenokumarin; Sincoumar; Sinthrom; Ascumar; Syntrom; Zotil; Acenocoumarolum; Acenocumarolo; Neositron; Sintroma; Acenocumarolum; Nitrophenylacetylethyl-4-hydroxycoumarine; Acenocoumarolum [INN-Latin]; Acitrom; Trombostop; Acenokumarin [Czech]; Acenocumarolo [DCIT]; Acenocoumarol [INN]; 3-(alpha-Acetonyl-4-nitrobenzyl)-4-hydroxycoumarin; G-23350; 3-(alpha-Acetonyl-p-nitrobenzyl)-4-hydroxycoumarin; 4-Hydroxy-3-(1-(4-nitrophenyl)-3-oxobutyl)-2H-1-benzopyran-2-one; 3-(alpha-p-Nitrophenyl-beta-acetylethyl)-4-hydroxycoumarin; 3-(alpha-(p-Nitrophenol)-beta-acetylethyl)-4-hydroxycoumarin; 3-(alpha-(4'-Nitrophenyl)-beta-acetylethyl)-4-hydroxycoumarin; Acenocoumarol (INN); G 23350; HSDB 3201; EINECS 205-807-3; G-23,350; MLS000539171; C19H15NO6; CHEBI:53766; 4-Hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-2H-chromen-2-one; G23350; 2H-1-Benzopyran-2-one, 4-hydroxy-3-(1-(4-nitrophenyl)-3-oxobutyl)-; Acenocoumarol-d4; 4-hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]chromen-2-one; Minisintrom; SMR000162652; Synthrom; 4-Hydroxy-3-[1-(4-Nitrophenyl)-3-oxobutyl]-2H-1-benzopyran-2-one; DSSTox_CID_2541; 3-(a-acetonyl-p-nitrobenzyl)-4-hydroxycoumarin; DSSTox_RID_76619; DSSTox_GSID_22541; W-108047; Coumarin, 3-(alpha-acetonyl-p-nitrobenzyl)-4-hydroxy-; 2H-1-Benzopyran-2-one, 4-hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-; 70897-81-3; Mini-sintrom (TN); 4-hydroxy-3-(1-(4-nitrophenyl)-3-oxobutyl)-2H-chromen-2-one; Acenocoumarol [INN:BAN:NF]; NCGC00016414-01; CAS-152-72-7; Prestwick_773; Opera_ID_1500; Prestwick0_000110; Prestwick1_000110; Prestwick2_000110; Prestwick3_000110; SCHEMBL33543; BSPBio_000100; AB-014/25000129; MLS001074461; (+/-)-ACENOCOUMARIN; SPBio_002039; BPBio1_000110; CHEMBL397420; GTPL9015; SCHEMBL1477562; DTXSID2022541; CTK2H8029; CTK8F7500; DTXSID00991186; Acenocoumarol, >=98% (HPLC); VABCILAOYCMVPS-UHFFFAOYSA-N; 2-hydroxy-3-[1-(4-nitrophenyl)-3-oxo-butyl]chromen-4-one; HMS1568E22; HMS2095E22; HMS2232P20; HMS3372J11; HMS3713F17; Pharmakon1600-01502411; HY-B1014; Tox21_110430; MFCD00137816; NSC760052; AKOS015962123; Tox21_110430_1; AB03786; API0000345; CCG-213077; CS-4527; DB01418; MCULE-6023926157; NSC-760052; NCGC00179658-01; NCGC00179658-04; AS-56473; LS-55093; SC-19741; AB00513804; FT-0660961; D07064; AB00513804_02; AB00527557-09; 152A727; Q304088; SR-01000678252; 3-(alpha-Acetonyl-p-nitrobenzyl)-4-hydroxy-coumarin; SR-01000678252-3; 3-(.alpha.-Acetonyl-4-nitrobenzyl)-4-hydroxycoumarin; 3-(.alpha.-Acetonyl-p-nitrophenyl)-4-hydroxycoumarin; BRD-A65051990-001-03-8; 3-(.alpha.-Acetonyl-p-nitrobenzyl)-4-hydroxy-coumarin; Coumarin, 3-(.alpha.-acetonyl-p-nitrobenzyl)-4-hydroxy-; 3-(.alpha.-p-Nitrophenyl-.beta.-acetylethyl)-4-hydroxycoumarin; 2-Hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-4H-1-benzopyran-4-one; 3-(.alpha.-(4-Nitrophenyl)-.beta.-acetylethyl)-4-hydroxycoumarin; 3-(.alpha.-(p-Nitrophenol)-.beta.-acetylethyl)-4-hydroxycoumarin; 4-Hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-2H-chromen-2-one #; Acenocoumarol, United States Pharmacopeia (USP) Reference Standard; 1185071-64-0;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C19H15NO6",
"molecular_weight": "353.3",
"state": "solid",
"clearance": "",
"volume_of_distribution": "The volume of distribution at steady-state appeared to be significantly dose dependent: 78 ml/kg for doses < or = 20 microg/kg and 88 ml/kg for doses > 20 microg/kg respectively",
"route_of_elimination": "Mostly via the kidney as metabolites",
"protein_binding": "98.7% protein bound, mainly to albumin",
"half_life": "8 to 11 hours.",
"absorption": "Rapidly absorbed orally with greater than 60% bioavailability. Peak plasma levels are attained 1 to 3 hours following oral administration.",
"cid": "54676537",
"classification": "B",
"indications": "",
"side_effects": "",
"atc_codes": "B01AA07",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01765",
"RC02386",
"RC03007"
]
},
{
"compound_ID": "D0764",
"name": "acetaldehyde",
"synonyms": "acetaldehyde; ethanal; acetic aldehyde; ethyl aldehyde; 75-07-0; Acetaldehyd; Acetylaldehyde; aldehyde; Acetic ethanol; Aldeide acetica; Octowy aldehyd; Aldehyde acetique; Azetaldehyd; RCRA waste number U001; Acetaldehyde (natural); NSC 7594; NCI-C56326; Acetaldehyd [German]; ACETYL GROUP; acetaldehydes; ethaldehyde; ethanone; CCRIS 1396; HSDB 230; Octowy aldehyd [Polish]; UNII-GO1N1ZPR3B; Aldeide acetica [Italian]; Aldehyde acetique [French]; UN1089; FEMA No. 2003; CHEBI:15343; AI3-31167; CH3CHO; EINECS 200-836-8; MFCD00006991; GO1N1ZPR3B; RCRA waste no. U001; 1-oxapropylene; IKHGUXGNUITLKF-UHFFFAOYSA-N; Ethylaldehyde; Acetaldehyde, 99.5%, extra pure; Acetaldehyde, 99.5%, extra pure, AcroSeal(R); Acetaldehyde, >=99%, meets FCC analytical specification; acetaldhyde; acetoaldehyde; Acetaldeyde; Aceteldehyde; acetic hydride; ethan-1-one; Acetaldehyde 10%; MeCHO; Acetaldehyde Natural; Aldehyde C(2); ACETALD; ACMC-20alvc; Acetaldehyde polymerized; DSSTox_CID_2; CH2CHO; NATURAL ALDEFRESH; Oxidized polyvinyl alcohol; bmse000647; Epitope ID:145667; EC 200-836-8; WLN: VH1; DSSTox_RID_79423; oxidised poly(vinyl alcohol); an oxidized polyvinyl alcohol; DSSTox_GSID_39224; KSC377C9B; Acetaldehyde, >=99%, FG; BIDD:ER0621; Acetaldehyde, >=99%, FCC; CHEMBL170365; GTPL6277; DTXSID5039224; Acetaldehyde, analytical standard; CHEBI:16571; CTK2H7190; KS-00000WLM; NSC7594; Acetaldehyde solution, 5 M in THF; NSC-7594; STR01382; Tox21_202479; Acetaldehyde, natural, >=99%, FG; Acetaldehyde, ReagentPlus(R), 99%; STL264249; AKOS000120180; LS-1654; MCULE-6800925955; RTR-024198; TRA0071966; UN 1089; Acetaldehyde, ACS reagent, >=99.5%; CAS-75-07-0; Acetaldehyde, >=99%, FCC, stabilized; NCGC00091753-01; NCGC00260028-01; InChI=1/C2H4O/c1-2-3/h2H,1H; SC-16387; Acetaldehyde solution, 40 wt. % in H2O; Acetaldehyde [UN1089] [Flammable liquid]; Acetaldehyde, >=90.0%, SAJ first grade; TR-024198; Acetaldehyde [UN1089] [Flammable liquid]; Acetaldehyde solution, 50 wt. % in ethanol; FT-0621719; Acetaldehyde solution, 50 wt. % (triacetin); 4998-EP0930075A1; 4998-EP1441224A2; 4998-EP2269979A1; 4998-EP2269988A2; 4998-EP2269989A1; 4998-EP2269992A1; 4998-EP2270004A1; 4998-EP2270005A1; 4998-EP2270010A1; 4998-EP2270011A1; 4998-EP2270014A1; 4998-EP2270113A1; 4998-EP2270114A1; 4998-EP2272491A1; 4998-EP2272517A1; 4998-EP2272813A2; 4998-EP2272825A2; 4998-EP2272826A1; 4998-EP2272831A1; 4998-EP2272832A1; 4998-EP2272834A1; 4998-EP2272839A1; 4998-EP2272840A1; 4998-EP2272843A1; 4998-EP2272848A1; 4998-EP2272935A1; 4998-EP2272972A1; 4998-EP2272973A1; 4998-EP2275102A1; 4998-EP2275105A1; 4998-EP2275395A2; 4998-EP2275404A1; 4998-EP2275409A1; 4998-EP2275411A2; 4998-EP2275412A1; 4998-EP2277848A1; 4998-EP2277865A1; 4998-EP2277872A1; 4998-EP2277878A1; 4998-EP2277880A1; 4998-EP2280000A1; 4998-EP2280002A1; 4998-EP2280006A1; 4998-EP2280007A1; 4998-EP2280008A2; 4998-EP2280012A2; 4998-EP2281812A1; 4998-EP2281824A1; 4998-EP2284146A2; 4998-EP2284147A2; 4998-EP2284148A1; 4998-EP2284157A1; 4998-EP2284160A1; 4998-EP2286812A1; 4998-EP2286915A2; 4998-EP2287147A2; 4998-EP2287153A1; 4998-EP2287158A1; 4998-EP2287159A1; 4998-EP2287165A2; 4998-EP2287166A2; 4998-EP2289868A1; 4998-EP2289871A1; 4998-EP2289882A1; 4998-EP2289890A1; 4998-EP2289893A1; 4998-EP2289894A2; 4998-EP2292227A2; 4998-EP2292576A2; 4998-EP2292586A2; 4998-EP2292589A1; 4998-EP2292593A2; 4998-EP2292610A1; 4998-EP2292620A2; 4998-EP2295401A2; 4998-EP2295407A1; 4998-EP2295411A1; 4998-EP2295414A1; 4998-EP2295418A1; 4998-EP2295426A1; 4998-EP2295427A1; 4998-EP2295433A2; 4998-EP2295434A2; 4998-EP2295435A1; 4998-EP2295437A1; 4998-EP2295439A1; 4998-EP2298312A1; 4998-EP2298734A2; 4998-EP2298736A1; 4998-EP2298744A2; 4998-EP2298749A1; 4998-EP2298757A2; 4998-EP2298758A1; 4998-EP2298759A1; 4998-EP2298767A1; 4998-EP2298770A1; 4998-EP2298775A1; 4998-EP2298778A1; 4998-EP2298780A1; 4998-EP2298783A1; 4998-EP2299509A1; 4998-EP2301544A1; 4998-EP2301911A1; 4998-EP2301912A2; 4998-EP2301916A2; 4998-EP2301927A1; 4998-EP2301929A1; 4998-EP2301930A1; 4998-EP2301931A1; 4998-EP2301933A1; 4998-EP2301935A1; 4998-EP2301940A1; 4998-EP2302382A2; 4998-EP2302383A2; 4998-EP2305250A1; 4998-EP2305627A1; 4998-EP2305629A1; 4998-EP2305633A1; 4998-EP2305648A1; 4998-EP2305652A2; 4998-EP2305660A1; 4998-EP2305664A1; 4998-EP2305668A1; 4998-EP2305672A1; 4998-EP2305674A1; 4998-EP2305677A1; 4998-EP2305679A1; 4998-EP2305682A1; 4998-EP2305684A1; 4998-EP2305685A1; 4998-EP2305686A1; 4998-EP2305687A1; 4998-EP2305808A1; 4998-EP2305825A1; 4998-EP2308562A2; 4998-EP2308833A2; 4998-EP2308838A1; 4998-EP2308840A1; 4998-EP2308841A2; 4998-EP2308844A2; 4998-EP2308845A2; 4998-EP2308846A2; 4998-EP2308848A1; 4998-EP2308850A1; 4998-EP2308851A1; 4998-EP2308852A1; 4998-EP2308861A1; 4998-EP2308867A2; 4998-EP2308870A2; 4998-EP2308872A1; 4998-EP2308874A1; 4998-EP2308879A1; 4998-EP2308882A1; 4998-EP2308883A1; 4998-EP2308960A1; 4998-EP2311796A1; 4998-EP2311797A1; 4998-EP2311798A1; 4998-EP2311799A1; 4998-EP2311801A1; 4998-EP2311802A1; 4998-EP2311803A1; 4998-EP2311806A2; 4998-EP2311808A1; 4998-EP2311818A1; 4998-EP2311820A1; 4998-EP2311822A1; 4998-EP2311827A1; 4998-EP2311829A1; 4998-EP2311830A1; 4998-EP2311837A1; 4998-EP2311841A1; 4998-EP2311842A2; 4998-EP2314295A1; 4998-EP2314574A1; 4998-EP2314576A1; 4998-EP2314579A1; 4998-EP2314587A1; 4998-EP2316470A2; 4998-EP2316824A1; 4998-EP2316825A1; 4998-EP2316826A1; 4998-EP2316829A1; 4998-EP2316831A1; 4998-EP2316832A1; 4998-EP2316833A1; 4998-EP2316836A1; 4998-EP2316974A1; 4998-EP2371811A2; 4998-EP2371814A1; 4998-EP2372017A1; 4998-EP2374454A1; 4998-EP2374780A1; 4998-EP2374781A1; 4998-EP2374783A1; 4998-EP2374788A1; 4998-EP2377841A1; 4998-EP2377844A2; 4998-EP2380871A1; C00084; Q61457; 21553-EP2287165A2; 21553-EP2314295A1; 21553-EP2314574A1; 26915-EP2280009A1; 26915-EP2305662A1; 26915-EP2308857A1; 26915-EP2314583A1; 37566-EP2277867A2; 37566-EP2280003A2; 37566-EP2281820A2; 37566-EP2284157A1; 37566-EP2286811A1; 37566-EP2287159A1; 37566-EP2292227A2; 37566-EP2298746A1; 37566-EP2298750A1; 37566-EP2298754A1; 37566-EP2298758A1; 37566-EP2298759A1; 37566-EP2298763A1; 37566-EP2298778A1; 37566-EP2305664A1; 37566-EP2305682A1; 37566-EP2308861A1; 37566-EP2308879A1; 37566-EP2311802A1; 37566-EP2311803A1; 37566-EP2311840A1; 37566-EP2374783A1; 37566-EP2377841A1; 37566-EP2377842A1; 37566-EP2380874A2; Acetaldehyde solution, 40 wt. % in isopropanol; Acetaldehyde, ReagentPlus(R), >=99.0% (GC); 108796-EP2277864A1; 108796-EP2280002A1; 108796-EP2298305A1; 108796-EP2298769A1; 170111-EP2275413A1; 170111-EP2287156A1; A838317; Acetaldehyde solution, natural, 50 wt. % in ethanol; BRD-K77914232-001-01-3; Q57695648; Acetaldehyde solution, natural, 50 wt. % ethanol, FG; Acetaldehyde, puriss. p.a., anhydrous, >=99.5% (GC); F2190-0651; Acetaldehyde, United States Pharmacopeia (USP) Reference Standard; Acetaldehyde solution, natural, 50 wt. % in ethanol, analytical standard;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C2H4O",
"molecular_weight": "44.05",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "177",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01766",
"RC02387",
"RC03008"
]
},
{
"compound_ID": "D0765",
"name": "aclarubicin hydrochloride",
"synonyms": "Aclarubicin hydrochloride; Aclacinon; Aclaplastin; 75443-99-1; Aclacinomycin A hydrochloride; Aclarubicin HCl; Aclarubicina clorhidrato [Spanish]; UNII-501948RI66; EINECS 278-209-3; 501948RI66; 1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-6,11-dioxo-2-ethyl-4-((2,3,6-trideoxy-4-O-(2,6-dideoxy-4-O-((2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-2,5,7-trihydroxy-, methyl ester, hydrochloride, (1R-(1-alpha,2-beta,4-beta))-; 1-Naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-6,11-dioxo-4-((2,3,6-trideoxy-4-O-(2,6-dideoxy-4-O-((2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-alpha-l-lyxo-hexopyranosyl)-3-(dimethylamino)-alpha-l-lyxo-hexopyranosyl)oxy)-, methyl ester, hydrochloride, (1R-(1alpha,2beta,4beta))-; Aclarubicina clorhidrato; ACLACINOMYCIN HYDROCHLORIDE; Aclarubicin hydrochloride [JAN]; Aclacinon (TN); NCGC00167481-01; DSSTox_CID_26658; DSSTox_RID_81801; DSSTox_GSID_46658; SCHEMBL97477; CHEMBL1697719; DTXSID4046658; CHEBI:31171; HY-N2306A; Aclarubicin hydrochloride (JP17); Tox21_112485; LS-93944; CAS-75443-99-1; CS-0079483; D01911;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C42H54ClNO15",
"molecular_weight": "848.3",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "153751",
"classification": "L",
"indications": "",
"side_effects": "",
"atc_codes": "L01DB04",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01767",
"RC02388",
"RC03009"
]
},
{
"compound_ID": "D0766",
"name": "acriflavine hydrochloride",
"synonyms": "Acriflavine hydrochloride; 69235-50-3; 8063-24-9; MFCD00069039; GT3998; AKOS015902555; KS-000017T2; AK163500; C14H14N3.C13H11N3.CI.3CIH; ST24045908; W0003; A-8118; AcriflavineHydrochloride(mixtureof3,6-Diamino-10-methylacridiniumChlorideHydrochlorideand3,6-DiaminoacridineHydrochloride);",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C27H28Cl4N6",
"molecular_weight": "578.4",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "53393742",
"classification": "R",
"indications": "",
"side_effects": "",
"atc_codes": "R02AA13",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01768",
"RC02389",
"RC03010"
]
},
{
"compound_ID": "D0767",
"name": "aldrin",
"synonyms": "aldrin; Aldrosol; Kortofin; Tatuzinho; Aldocit; Aldrine; Aldrite; Aldron; Algran; Seedrin; Tipula; Compound 118; HHDN; Aldrex 40; Soilgrin; Altox; 309-00-2; Aldrine [French]; Aldrex 30; Aldrex; Caswell No. 012; Drinox; Latka 118 [Czech]; Aldrin, liquid; Aldrin, solid; NCI-C00044; Aldrin-R; UNII-OZE3CLY605; RCRA waste number P004; CCRIS 18; ENT 15,949; SD 2794; HHPN; HSDB 199; NSC 8937; EINECS 206-215-8; HHDN [BSI:ISO]; NA2762; (1R,4S,4aS,5S,8R,8aR)-1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene; RCRA waste no. P004; EPA Pesticide Chemical Code 045101; OZE3CLY605; AI3-15949; OMS-194; Hexachlorohexahydro-endo-exo-dimethanonaphthalene; 1,4:5,8-Dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-, endo,exo-; (1alpha,4alpha,4abeta,5alpha,8alpha,8abeta)-1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene; 1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-endo-1,4-exo-5,8-dimethanonaphthalene; 1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-exo-1,4-endo-5,8-dimethanonaphthalene; Alderin; 1,4:5,8-Dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-, (1alpha,4alpha,4abeta,5alpha,8alpha,8abeta)-; Q63398891; Aldrin Dust; Aldrin [ISO]; Latka 118; Aldrex 30 E.C.; aldrin mixture; (1R,4S,4aS,5S,8R,8aR)-rel-1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene; HHDM; compd 118; Aldrex 30 E.C; octalene compound 118; Aldrin, analytical standard; BIDD:PXR0045; SCHEMBL18376; BIDD:ER0446; CHEBI:2564; DTXSID8020040; 1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4-endo,exo-5,8-dimethanonaphthalene; 1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-Hexahydro-1,4-endo-exo-5,8-dimethanonaphthalene; 1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene; 1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-endo-exo-1,4:5,8-dimethanonaphthalene; QBYJBZPUGVGKQQ-SJJAEHHWSA-N; 1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene, endo,exo-; 1,2,3,4,10,10-Hexachloro-1.alpha.,4.alpha.,4a.beta.,5.alpha.,8.alpha.,8a.beta.-hexahydro1,4:5,8-dimethanonaphthalene; Aldrin 10 microg/mL in Cyclohexane; Aldrin 100 microg/mL in Isooctane; Aldrin 10 microg/mL in Acetonitrile; MFCD00135587; ZINC18255657; Aldrin, solid [NA2761] [Poison]; Aldrin, liquid [NA2762] [Poison]; Aldrin, solid [NA2761] [Poison]; LS-1166; Aldrin, liquid [NA2762] [Poison]; NCGC00249160-01; Aldrin, PESTANAL(R), analytical standard; Aldrin, 99%, vial of 1 g, analytical standard; Q409054; Aldrin, certified reference material, TraceCERT(R); J-018192; Aldrin solution, 20 mug/mL in methanol, analytical standard; Aldrin solution, 200 mug/mL in isooctane, analytical standard; Aldrin solution, certified reference material, 5000 mug/mL in methanol; Aldrin solution, 100 mug/mL in acetonitrile, PESTANAL(R), analytical standard; (1alpha,4alpha,4abeta,5alpha,8alpha,8abeta)-1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5 ,8-Dimethanonaphthalene; 1,2,3 ,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-exo-1,4-endo-5,8-dimethanonaphthalene; 1,4:5,8-Dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-, 1,4,4a,5,8,8a-hexahydro-, endo,exo-; 1,4:5,8-Dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-(1alpha,4alpha,4abeta,5alpha,8alpha,8a beta)-; 1,4:5,8-Dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-(1alpha,4alpha,4abeta,5alpha,8alpha,8abeta)-; 2,7:3,6-Dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-, (1alpha,4alpha,4abeta,5alpha,8alpha,8abeta)-;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C12H8Cl6",
"molecular_weight": "364.9",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "12310947",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01770",
"RC02391",
"RC03012"
]
},
{
"compound_ID": "D0768",
"name": "alizarin",
"synonyms": "Alizarin; 72-48-0; 1,2-dihydroxyanthracene-9,10-dione; Alizarin Red; Mordant Red 11; 1,2-Dihydroxyanthraquinone; Alizarin B; Turkey Red; 1,2-Anthraquinonediol; ALIZARINE; 1,2-Dihydroxy-9,10-anthracenedione; Alizarina; Alizarine Red; Alizarine B; Eljon Madder; Alizarine NAC; Alizerine NAC; Alizarine Red B; Alizarine Red L; Alizarine 3B; Eljon Madder M; Alizarine L paste; Turkey Red W; 1,2-Dihydroxy-9,10-anthraquinone; Alizarine Red IP; Alizarine indicator; Certiqual Alizarine; Alizarine Red B2; Alizarine Red IPP; Alizerine Red IPP; Mitsui Alizarine B; Sanyo Carmine L2B; Mitsui Alizarine BS; 1,2-Dihydroxyanthra-9,10-quinone; Certiqual Alizarine D; Alizarine Lake Red 2P; Alizarine Lake Red 3P; Alizarine Lake Red IPX; Pigment red 83; C.I. Mordant Red 11; C.I. Pigment Red 83; Anthraquinonic; C.I. Mordant Red 11C; C.I. Pigment Red 83C; D And C Orange Number 15; D and C Orange Number 15D; Deep Crimson Madder 10821; Deep Crimson Madder 10821E; 1,2-Dihydroxyanthrachinon; Alizarinprimeveroside; 9,10-Anthracenedione, 1,2-dihydroxy-; Alizarine Paste 20 percent Bluish; 1,2-Dihydroxy anthraquinone; 1,2-Dihydroxy-anthraquinone; Alizarine paste 20% bluish; Turkey Red (VAN); C.I. 58000; C.I. 58000C; D and C Orange No. 15; UNII-60MEW57T9G; CCRIS 3530; Anthraquinone, 1,2-dihydroxy-; CHEBI:16866; NSC7212; 1,2-Dihydroxyanthrachinon [Czech]; NSC 7212; EINECS 200-782-5; BRN 1914037; CI 58000; CHEMBL55814; AI3-18244; 60MEW57T9G; Alizarin (C.I. 58000); RGCKGOZRHPZPFP-UHFFFAOYSA-N; MFCD00001201; Az; DIHYDROXY-9,10-ANTHRACENEDIONE; 1,10-Anthracenedione, 2,9-dihydroxy-; NCGC00095227-01; Alizarin, 97%, pure; DSSTox_CID_25960; DSSTox_RID_81256; DSSTox_GSID_45960; W-104489; crimson madder; Rubia; rose madder; alizarin crimson; CAS-72-48-0; 140861-55-8; Hystazarin; Pincoffin; 9,10-Anthracenedione, dihydroxy-; Alizarin, p.a.; Sanyo Carmine l2BT; ACMC-20mzub; ATHRAQUINONES A; Spectrum_000386; SpecPlus_000320; 9, 1,2-dihydroxy-; Spectrum2_000397; Spectrum3_000262; Spectrum4_001555; Spectrum5_000150; Epitope ID:116187; SCHEMBL18614; BSPBio_001704; CBDivE_014227; KBioGR_002050; KBioSS_000866; SPECTRUM210850; 1322-60-7; 4-08-00-03256 (Beilstein Handbook Reference); MLS002207283; ARONIS27045; DivK1c_006416; Alizarin, Dye content 97 %; SPBio_000613; DTXSID5045960; CTK0F1107; CTK0I0351; KBio1_001360; KBio2_000866; KBio2_003434; KBio2_006002; KBio3_001204; KS-00000WZC; HMS1923C03; HMS3651P05; 1,10-dihydroxy-2,9-anthraquinone; 2,9-dihydroxy-1,10-anthraquinone; 9,10-dihydroxy-1,2-anthraquinone; BB_NC-00489; HY-N0563; KS-000048JK; NSC-7212; ZINC3860973; Tox21_111486; ANW-36201; BBL027327; BDBM50206434; CCG-38668; GT5801; s2526; SBB006481; STK801841; Rubia, alizarin crimson, 72-48-0; AKOS001639988; Tox21_111486_1; 1,2-Dihydroxyanthra-9,10-quinone #; FS-3935; LN: L C666 BV IVJ EQ FQ1; MCULE-9793510419; NE55861; RTR-023675; SDCCGMLS-0066502.P001; NCGC00095227-02; NCGC00095227-03; NCGC00095227-04; NCGC00095227-06; 1,2-bis(oxidanyl)anthracene-9,10-dione; AC-11708; AK114182; CC-02920; L933; LS-20667; NCI60_041501; SMR001306798; ST055352; TR-023675; 4CH-011256; CS-0009103; D0242; FT-0621965; ST24020924; SW101224-2; C01474; EN300-136088; A837539; AE-641/00185064; C-34292; Q267813; SR-05000002485; 1,2-dihydroxy-9,10-dihydroanthracene-9,10-dione; SR-05000002485-1; BRD-K73191876-001-04-7; F0905-1727; InChI=1/C14H8O4/c15-10-6-5-9-11(14(10)18)13(17)8-4-2-1-3-7(8)12(9)16/h1-6,15,18;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C14H8O4",
"molecular_weight": "240.21",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "6293",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01771",
"RC02392",
"RC03013"
]
},
{
"compound_ID": "D0769",
"name": "allylestrenol",
"synonyms": "allylestrenol; 432-60-0; Gestanin; Gestanon; Gestanol; Orageston; Turinal; Allyloestrenol; Organon; Gestanyn; Allyloestrenolum; Estrenol, allyl-; 17alpha-Allylestrenol; Allilestrenolo [DCIT]; 17alpha-Allyl-4-estren-17beta-ol; 17alpha-Allylestr-4-en-17beta-ol; Alilestrenol [INN-Spanish]; Allylestrenolum [INN-Latin]; 17-allylestr-4-en-17-beta-ol; 17-(2-Propenyl)estr-4-en-17-ol; 17alpha-Allyl-4-destrene-17beta-ol; 17alpha-Allyl-4-oestrene-17beta-ol; UNII-I47VB5DZ8O; 17-alpha-Allylestr-4-en-17-beta-ol; 17-Hydroxy-17-alpha-allyl-4-estrene; I47VB5DZ8O; 17-alpha-Allyl-4-oestrene-17-beta-ol; 17alpha-Allyl-17beta-hydroxy-4-estrene; 17alpha-Allyl-3-deoxy-19-nortestosterone; 17-alpha-Allyl-17-beta-hydroxy-4-estrene; CCRIS 9068; 17-alpha-Allyl-3-deoxy-19-nortestosterone; 17-alpha-Allylhydroxy-19-nor-4-androstene; 3-Deoxy-17-alpha-allyl-19-nortestosterone; CHEBI:31189; 21-Methylene-19-nor-17-alpha-preg-4-en-17-ol; EINECS 207-082-9; 17-alpha-Allyl-17-beta-hydroxy-delta(sup 4)-estren; 17alpha-Allyl-19-nor-delta-4-androstene-17beta-ol; NSC 37723; 19-norpregn-4-ene-20-yn-17beta-ol; BRN 3148038; ESTR-4-EN-17-beta-OL, 17-ALLYL-; 19-Nor-17-alpha-preg-4-en-17-ol, 21-methylene-; Gestanon-r; Perselin (TN); 17.alpha.-Allylestrenol; Allylestrenol (JAN/INN); Allylestrenol [INN:JAN]; Alilestrenol; Allilestrenolo; Allylestrenolum; Allyl estrenol; NCGC00159497-02; PubChem21334; 17.alpha.-Allyl-4-estren-17.beta.-ol; 17.alpha.-Allylestr-4-en-17.beta.-ol; 17.alpha.-Allyl-4-destrene-17.beta.-ol; 17.alpha.-Allyl-4-oestrene-17.beta.-ol; 17.alpha.-Allyl-3-deoxy-19-nortestosterone; DSSTox_CID_2574; 17.alpha.-Allyl-17.beta.-hydroxy-4-estrene; DSSTox_RID_76637; (17beta)-17-prop-2-en-1-ylestr-4-en-17-ol; DSSTox_GSID_22574; SCHEMBL329623; Allylestrenol [INN:BAN:JAN]; Estr-4-en-17-ol, 17-(2-propenyl)-, (17beta)-; CHEMBL3185133; DTXSID9022574; 17.alpha.-Allyl-17-.beta.-hydroxy-.delta.(sup 4)-estren; BCP10809; NSC37723; ZINC4214767; Tox21_111718; Estr-4-en-17beta-ol, 17-allyl-; LMST02030125; NSC-37723; AKOS015964938; DB01431; DS-8255; Estr-4-en-17-ol, (17.beta.)-; VA10231; Estr-4-en-17.beta.-ol, 17-allyl-; CAS-432-60-0; CC-23894; HY-17375; LS-64837; 3-deketo-17alpha-allyl-19-nortestosterone; CS-0006769; Estr-4-en-17beta-ol, 17-allyl- (8CI); ST24045936; WLN: L E5 B666 MUTJ E1 FQ F2U1; A-8648; C12811; D01374; 4-06-00-04143 (Beilstein Handbook Reference); 432A600; C-18772; Q531965; SR-01000883956; SR-01000883956-1; Estr-4-en-17-ol, 17-(2-propenyl)-, (17beta)- (9CI);",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C21H32O",
"molecular_weight": "300.5",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "The glucuronide and sulfate conjugates of pregnanediol and pregnanolone are excreted in the urine and bile. Progesterone metabolites which are excreted in the bile may undergo enterohepatic recycling or may be excreted in the feces. Progesterone metabolites are excreted mainly by the kidneys.",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "235905",
"classification": "G",
"indications": "",
"side_effects": "",
"atc_codes": "G03DC01",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01772",
"RC02393",
"RC03014"
]
},
{
"compound_ID": "D0770",
"name": "aloe-emodin",
"synonyms": "Aloe-emodin; Aloe emodin; 481-72-1; Aloeemodin; Aloe-emodine; Rhabarberone; 3-Hydroxymethylchrysazine; EMODINE; 3-Hydroxymethylchrysazin; 1,8-dihydroxy-3-(hydroxymethyl)anthracene-9,10-dione; 1,8-Dihydroxy-3-(hydroxymethyl)anthraquinone; 1,8-Dihydroxy-3-hydroxymethylanthraquinone; NSC 38628; 9,10-Anthracenedione, 1,8-dihydroxy-3-(hydroxymethyl)-; 1,8-Dihydroxy-3-(hydroxymethyl)-9,10-anthracenedione; UNII-C8IYT9CR7C; CCRIS 3526; EINECS 207-571-7; C8IYT9CR7C; 3-(Hydroxymethyl)chrysazin; BRN 2059062; CHEMBL40275; CHEBI:2607; 1,8-dihydroxy-3-hydroxymethyl-anthraquinone; YDQWDHRMZQUTBA-UHFFFAOYSA-N; NSC38628; 1,8-Dihydroxy-3-(hydroxymethyl)anthra-9,10-quinone; Q-100526; ANTHRAQUINONE, 1,8-DIHYDROXY-3-HYDROXYMETHYL-; SMR000470920; Aloe-emodol; Rottlerin?; Aloe-Emodine,(S); DSSTox_CID_10695; DSSTox_RID_78855; DSSTox_GSID_30695; 4-08-00-03578 (Beilstein Handbook Reference); cid_10207; MLS000697563; MLS006011799; SCHEMBL309756; Aloe-emodin, analytical standard; DTXSID2030695; Aloe-emodin, >=95% (HPLC); HMS3655N16; BCP28272; HY-N0189; ZINC4098644; Tox21_302400; AC-020; BBL027838; BDBM50085551; CA-417; CA0128; LMPK13040002; MFCD00017373; NSC-38628; s2259; STL146380; AKOS005720864; API0001418; CCG-208456; CS-3709; LS-2202; MCULE-6965338444; 9, 1,8-dihydroxy-3-(hydroxymethyl)-; SMP2_000291; NCGC00163510-01; NCGC00163510-02; NCGC00163510-03; NCGC00255349-01; AK160272; AS-11638; CAS-481-72-1; NCI60_003685; SC-46578; AB0010470; AX8006287; TR-031339; FT-0622062; N1851; ST24045939; SW219916-1; Anthraquinone,8-dihydroxy-3-(hydroxymethyl)-; C10294; 481A721; Anthraquinone, 1,8-dihydroxy-3-(hydroxymethyl)-; SR-01000765772; Q3533249; SR-01000765772-3; 1,8-Dihydroxy-3-(hydroxymethyl)anthra-9,10-quinone #; 1,8-Dihydroxy-3-hydroxymethyl-9,10-anthracenedione, 9CI; 9,10-Anthracenedione, 1,8-dihydroxy-3-(hydroxymethyl)- (9CI); 9,10-Dihydro-4,5-dihydroxy-9,10-dioxo-2-hydroxymethyl-anthracene; Diacerein impurity B, European Pharmacopoeia (EP) Reference Standard; 1,8-Dihydroxy-3-(hydroxymethyl)-anthracene-9,10-dione (Aloe-Emodin); InChI=1/C15H10O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-5,16-18H,6H;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C15H10O5",
"molecular_weight": "270.24",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "10207",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01773",
"RC02394",
"RC03015"
]
},
{
"compound_ID": "D0771",
"name": "alpha-1,2,3,4,5,6-hexachlorocyclohexane",
"synonyms": "lindane; beta-HCH; gamma-HCH; 1,2,3,4,5,6-Hexachlorocyclohexane; Hexachlorane; gamma-BHC; Benzene hexachloride; alpha-HCH; Kwell; beta-BHC; BETA-HEXACHLOROCYCLOHEXANE; Hexicide; gamma-hexachlorocyclohexane; beta-Lindane; 58-89-9; Aalindan; Jacutin; Gamene; Gexane; epsilon-HCH; Agrocide; Aparasin; Aphtiria; Chloresene; Codechine; delta-BHC; delta-HCH; Entomoxan; Gammalin; Gammaterr; Hexachloran; Hexaverm; Hexyclan; Kokotine; Lindafor; Lindosep; Lorexane; Nicochloran; Ovadziak; Owadziak; Pedraczak; Pflanzol; Quellada; Streunex; Aficide; Aplidal; Arbitex; Celanex; Devoran; Gamacid; Hortex; Lendine; Lentox; Lidenal; Lindex; Lintox; Linvur; Mszycol; Omnitox; Scabene; Bexol; Nexit; Viton; alpha-Lindane; Hcch; Agrocide WP; Agrocide III; Ben-Hex; Ameisentod; Benhexol; Gammexane; Heclotox; Lasochron; Lindatox; Gammalin 20; Neo-scabicidol; gamma-Lindane; ALPHA-HEXACHLOROCYCLOHEXANE; DELTA-HEXACHLOROCYCLOHEXANE; Nexit-stark; Bentox 10; Milbol 49; Nexen fb; 319-85-7; alpha-BHC; Nexol-E; 319-84-6; DOL GRANULE; Gamacarbatox; Lindagrain; Lindagranox; Lindapoudre; Spruehpflanzol; Agronexit; Esoderm; Gallogama; Gamaphex; Geobilan; Hexatox; Hilbeech; Lindagam; Novigam; Silvanol; Gamiso; Inexit; Isotox; Lindan; Beta-1,2,3,4,5,6-hexachlorocyclohexane; 319-86-8; gamma-col; Spritz-rapidin; Forst-nexen; Sang gamma; Mglawik L; Agrocide 7; Hungaria L7; Ameisenmittel merck; TRI-6; Spritzlindane; Benzanex; Gamacide; Hexablanc; Hexachlor; Hexapoudre; Hexcidum; Dolmix; Gamtox; Hexamul; Isatox; Submar; Gyben; delta-Lindane; Geolin G 3; Verindal ultra; gamma-Benzene hexachloride; beta-Hexachloran; TAP 85; Detox 25; Arcotal S; Trives-T; alpha-Hexachlorane; gamma BHC; Agrocide 6G; Hexachlorcyclohexan; alpha-1,2,3,4,5,6-Hexachlorocyclohexane; Lacco HI lin; 608-73-1; Drilltox-Spezial Aglukon; beta-Benzene hexachloride; Gamacide 20; gamma Benzene hexachloride; hecoltox; Hexachlorocyclohexanes; Ameisenatod; Benhexachlor; Gammahexane; Aphtitria; Exagama; gamma-1,2,3,4,5,6-Hexachlorocyclohexane; Gammahexa; Gammallin; Gammaxene; Gammopaz; Lindalo; Lindamul; Lindaterra; Novigan; Benzex; beta-Hexachlorobenzene; Forlin; Gammex; Detmol-extrakt; Fenoform forte; gamma-Hexachlorobenzene; nexen-fb; Detmol Extract; Borer Spray; alpha-Hexachloran; alpha-Benzenehexachloride; delta-Benzenehexachloride; .delta.-Lindane; Agrocide 2; ENT 9,234; Kwell-R; alpha-Benzene hexachloride; delta-Benzene hexachloride; BHC (insecticide); HCH [BSI]; HCH [ISO]; .delta.-BHC; Gamma-mean 400; Agrisol G-20; .delta.-Hexachlorocyclohexane; BHC or HCH; t-HCH; Caswell No. 079; Caswell No. 527; gamma-Benzohexachloride; ENT 7,796; ENT 9,232; (+)-alpha-HCH; Latka 666; gamma hexachlor; Lindanum [INN-Latin]; gamma-Benzenehexachloride; gamma-Hexachlorzyklohexan; HCH; Latka 666 [Czech]; Lindano [INN-Spanish]; Benzene hexachloride-alpha-isomer; gamma-HCH or gamma-BHC; UNII-59NEE7PCAB; UNII-YM80ODM9PD; Rcra waste number U129; gamma-Hexachlorcyclohexanum; Hexachlorocyclohexane, gamma-isomer; Technical HCH; .alpha.-Lindane; C6H6Cl6; gamma-Hexachlorane; epsilon-Hexachlorocyclohexane; zeta-HCH; 6108-10-7; BHC; d-alpha-BHC; Hexachlorocyclohexane, beta-; Hexachlorcyclohexan [German]; ENT 8,601; ENT 9,233; .alpha.-Hexachlorocyclohexane; Hexachlorocyclohexane, alpha-; Hexachlorocyclohexane, delta-; Hexachlorocyclohexane, gamma-; CCRIS 327; CCRIS 328; CCRIS 329; technical Hexachlorocyclohexane; trans-alpha-Benzenehexachloride; .delta.-HCH; Benzenehexachloride-alpha-isomer; CCRIS 1449; HSDB 646; BBH; Benzene hexachloride (Ambiguous); Benzene hexachloride-gamma isomer; Cyclohexane, 1,2,3,4,5,6-hexachloro-; 1a,2a,3b,4a,5b,6b-Hexachlorocyclohexane; gamma-BHC Benhexachlor; HSDB 1606; HSDB 6029; HSDB 6183; HSDB 6184; Benzenehexachloride, mixed isomers; benzene-cis-hexachloride; NCI-C00204; Hexachlorocyclohexane, gamma isomer; Hexachlorocyclohexane (all isomers); alpha-Hexachlorcyclohexane; Drill tox-spezial aglukon; EINECS 200-401-2; EINECS 206-270-8; EINECS 206-271-3; EINECS 206-272-9; EINECS 210-168-9; (1r,2r,3r,4r,5r,6r)-1,2,3,4,5,6-hexachlorocyclohexane; epsilon-Benzenehexachloride; Hexachlorocyclohexane (mixed isomers); NSC 11808; 59NEE7PCAB; YM80ODM9PD; Hexachlorocyclohexane, technical grade; HGI; RCRA waste no. U129; Benzene Hexachloride, gamma; EPA Pesticide Chemical Code 009001; Hexachlorocyclohexane (technical grade); BRN 1907331; BRN 1907334; BRN 1907337; BRN 1907338; BRN 3195880; .delta.-Benzene hexachloride; UNII-YV2D256Z3N; (1alpha,2beta,3alpha,4beta,5alpha,6beta)-1,2,3,4,5,6-Hexachlorocyclohexane; AI3-07796; AI3-08601; AI3-09232; AI3-09233; AI3-09234; YV2D256Z3N; Lindane [Hexachlorocyclohexanes]; PLK; benzene hexachloride-gamma-isomer; (1R,2R,3R,4R,5S,6S)-1,2,3,4,5,6-hexachlorocyclohexane; CHEBI:24536; CHEBI:28428; CHEBI:32888; CHEBI:39095; CHEBI:39096; Benzene hexachloride, all isomers; Cyclohexane, beta-1,2,3,4,5,6-hexachloro-; Cyclohexane, delta-1,2,3,4,5,6-hexachloro-; beta-HCH [Hexachlorocyclohexanes]; UNII-IVM9A2N49K; JLYXXMFPNIAWKQ-GNIYUCBRSA-N; alpha-HCH [Hexachlorocyclohexanes]; gamma-HCH [Hexachlorocyclohexanes]; GAMMA-HEXACHLORO-CYCLOHEXANE; Cyclohexane, 1,2,3,4,5,6-hexachloro-, alpha-; Cyclohexane, 1,2,3,4,5,6-hexachloro-, gamma-; 1,2,3,4,5,6-Hexachlorocyclohexane, gamma-isomer; delta-(Aeeeee)-1,2,3,4,5,6-hexachlorocyclohexane; EINECS 228-068-9; HCH-.delta.; Cyclohexane, 1,2,3,4,5,6-hexachloro-, (1.alpha.,2.alpha.,3.alpha.,4.beta.,5.alpha.,6.beta.)-; Cyclohexane, 1,2,3,4,5,6-hexachloro-, (1.alpha.,2.alpha.,3.beta.,4.alpha.,5.alpha.,6.beta.)-; Cyclohexane, 1,2,3,4,5,6-hexachloro-, (1.alpha.,2.alpha.,3.beta.,4.alpha.,5.beta.,6.beta.)-; BHC-.delta. isomer; Cyclohexane, 1,2,3,4,5,6-hexachloro-, alpha-isomer; Cyclohexane, 1,2,3,4,5,6-hexachloro-, beta-isomer; Cyclohexane, 1,2,3,4,5,6-hexachloro-, delta-isomer; Cyclohexane, 1,2,3,4,5,6-hexachloro-, gamma-isomer; 119911-69-2; BHC, .delta.; UNII-5477B350EK; 1,2,3,4,5,6-Hexachlorocyclohexane (mixture of isomers); Cyclohexane, 1,2,3,4,5,6-hexachloro-, (mixed isomers); NCGC00094546-04; Lindano; Lindanum; 1a,2b,3a,4b,5a,6b-hexachlorocyclohexane; (1r,2R,3S,4r,5R,6S)-1,2,3,4,5,6-hexachlorocyclohexane; (1r,2R,3S,4s,5R,6S)-1,2,3,4,5,6-hexachlorocyclohexane; 1alpha,2alpha,3beta,4alpha,5alpha,6beta-Hexachlorocyclohexane; AI3-15109; trans-1,2,3,4,5,6-hexachlorocyclohexane; DSSTox_CID_685; DSSTox_CID_686; DSSTox_CID_687; 1-alpha,2-alpha,3-alpha,4-beta,5-alpha,6-beta-Hexachlorocyclohexane; 1-alpha,2-beta,3-alpha,4-beta,5-alpha,6-beta-Hexachlorocyclohexane; HCH, technical grade [Hexachlorocyclohexanes]; (1alpha,2alpha,3alpha,4beta,5alpha,6beta)-1,2,3,4,5,6-Hexachlorocyclohexane; (1alpha,2alpha,3beta,4alpha,5alpha,6beta)-1,2,3,4,5,6-hexachlorocyclohexane; (1alpha,2alpha,3beta,4alpha,5beta,6beta)-1,2,3,4,5,6-Hexachlorocyclohexane; Cyclohexane, 1,2,3,4,5,6-hexachloro-, (1alpha,2alpha,3beta,4alpha,5alpha,6beta)-; Cyclohexane, 1,2,3,4,5,6-hexachloro-, (1alpha,2beta,3alpha,4beta,5alpha,6beta)-; DSSTox_RID_75733; DSSTox_RID_75734; DSSTox_RID_75735; 1,2,3,4,5,6-Hexachlorocyclohexane gamma isomer; DSSTox_GSID_20685; DSSTox_GSID_20686; DSSTox_GSID_20687; Cyclohexane, 1,2,3,4,5,6-hexachloro-, (1.alpha.,2.beta.,3.alpha.,4.beta.,5.alpha.,6.beta.)-; 1,2,3,4,5,6-Hexachlorocyclohexane (all stereo isomers); Cyclohexane, 1,2,3,4,5,6-hexachloro-, .gamma.-isomer; (1r,2c,3t,4c,5c,6t)-1,2,3,4,5,6-hexachlorocyclohexane; (1R,2R,3S,4S,5S,6S)-1,2,3,4,5,6-hexachlorocyclohexane; (1r,2t,3c,4t,5c,6t)-1,2,3,4,5,6-hexachlorocyclohexane; 1alpha,2alpha,3beta,4alpha,5beta,6beta-Hexachlorocyclohexane; Scabecid; am eisenatod; beta-isomer; Atlas steward; hilbeec h; IVM9A2N49K; Sang-gamma; Lindam ul; Eso derm; nexi t-stark; Isot ox; (1alpha,2alpha,3alpha,4beta,5beta,6beta)-1,2,3,4,5,6-Hexachlorocyclohexane; 1,2,3,4,5,6-hexachlorocyclohexane (1alpha,2alpha,3beta,4alpha,5alpha,6beta); 1,2,3,4,5,6-Hexachlorocyclohexane (all stereo isomers, including lindane); gamma-Hexachlorocyclohexane [Lindane and other hexachlorocyclohexane isomers]; theta-HCH; CAS-58-89-9; Cyclohexane, 1,2,3,4,5,6-hexachloro-, (1alpha,2alpha,3alpha,4beta,5alpha,6beta)-; Cyclohexane, 1,2,3,4,5,6-hexachloro-, (1alpha,2alpha,3alpha,4beta,5beta,6beta)-; Cyclohexane, 1,2,3,4,5,6-hexachloro-, (1alpha,2alpha,3beta,4alpha,5beta,6beta)-; Cyclohexane, l,2,3,4,5,6-hexachloro-, (1alpha,2alpha,3beta,4alpha,5beta,6beta)-; 6108-11-8; 6108-12-9; CAS-319-85-7; CAS-608-73-1; SMR000857321; SMR000875266; .alpha.-BHC; .gamma.-BHC; HCH (alpha); 1,2,3,4,5,6-Hexachlorocyclohexane (HCH); HCH (beta); d-BHC; .delta.,1,2,3,4,5,6-Hexachlorocyclohexane; (-)-alpha-HCH; 5477B350EK; eta-Hexachlorocyclohexane; Cyclohexane, .delta.,1,2,3,4,5,6-hexachloro-; SR-05000001837; zeta-Hexachlorocyclohexane; Cyclohexane, 1,2,3,4,5,6-hexachloro-, .delta.-; Murfume grain store smoke; theta-Hexachlorocyclohexane; .delta.-(aeeee)-1,2,3,4,5,6-Hexachlorocyclohexane; KWELL (TN); Cyclohexane, 1,2,3,4,5,6-hexachloro-, .delta.-isomer; .beta.-Hexachlorocyclohexane; Lindane [USAN:INN:BAN]; Kanodane; Detmol Extrakt; gamma-linda ne; H.C.H.; Nexit Stark; 1.alpha.,2.alpha.,3.alpha.,4.beta.,5.alpha.,6.beta.-Hexachlorocyclohexane; .gamma.-Lindane; Lindane [USAN:USP:INN:BAN]; theta-BHC; Hexachlorzyklohexan; Nexol E; HCH (technical); Sang-.gamma.; alpha- BHC; eta-BHC; eta-HCH; 1,2,3,4,5,6-Hexachlorocyclohexane, (1.alpha.,2.alpha.,3.alpha.,4.beta.,5.alpha.,6.beta.)-; Lindane,(S); .alpha.-Hexachloran; .gamma.-Hexachloran; .alpha.-HCH; .gamma.-HCH; BHC .alpha.; HCH-.alpha.; .alpha.-Hexachlorane; .gamma.-Hexachlorane; BHC-.alpha. isomer; BHC(.gamma.); G-BHC-.delta.; HCH, technical grade; lindane (Gama-HCH); gamma-BHC (lindane); lindane (gamma-HCH); Lindane, 97%; Lindane (USP/INN); Spectrum_001929; .gamma.-Benzohexachloride; .gamma.-Hexachlorobenzene; benzene-trans-hexachloride; DSSTox_CID_684; Hexachlorocyclohexane-Beta; Spectrum2_001864; Spectrum3_000860; Spectrum4_000700; Spectrum5_001586; 1,2,3,4,5,6-HCH; beta-Hexachlorocyclohexanes; DSSTox_CID_4134; Hexachlorocyclohexane-Alpha; beta-Hexac hlorocyclohexane; alpha-Hexachlorocyclohexanes; Gamma Benzene Hydrochloride; epsilon-Benzene hexachloride; gamma-:hexachlorocyclohexane; .alpha.-Hexachlorcyclohexane; DSSTox_RID_75732; H.C.H; .alpha.-Benzene hexachloride; .gamma.-Benzene hexachloride; Benzene-1,2,3,4,5,6-hexachloride (Ambiguous); BIDD:PXR0097; DSSTox_GSID_20684; DSSTox_GSID_24134; SCHEMBL25895; SCHEMBL25896; SCHEMBL75689; .gamma.-Hexachlorocyclohexane; BSPBio_002479; KBioGR_001199; KBioSS_002471; SPECTRUM330071; 2-05-00-00011 (Beilstein Handbook Reference); 4-05-00-00056 (Beilstein Handbook Reference); 4-05-00-00058 (Beilstein Handbook Reference); 4-05-00-00060 (Beilstein Handbook Reference); 4-05-00-00061 (Beilstein Handbook Reference); MLS001333088; MLS001335969; MLS001335970; MLS001361319; beta-BHC, analytical standard; BIDD:ER0090; BIDD:ER0091; BIDD:ER0449; BIDD:ER0558; BIDD:GT0634; CHEMBL15891; DivK1c_000701; SCHEMBL140812; SCHEMBL140813; SCHEMBL472088; Benzene Hexachloride, .gamma.; SPBio_001708; .epsilon.-Hexachlorocyclohexane; delta-BHC, analytical standard; gamma-BHC, analytical standard; CHEMBL389022; Hexachlorocyclohexane, Technical; SCHEMBL7647849; SCHEMBL8469477; SCHEMBL9120917; ZINC1621; CHEMBL1200921; CHEMBL1714528; CHEMBL1874247; CHEMBL2272381; DTXSID0024135; DTXSID2020684; DTXSID2020686; DTXSID5024134; DTXSID7020685; DTXSID7020687; Hexachlorocyclohexane (q-isomer); Hexachlorocyclohexane (z-isomer); Hexachlorocyclohexane [h-isomer]; SCHEMBL10795898; HMS502D03; KBio1_000701; KBio2_002464; KBio2_005032; KBio2_007600; KBio3_001979; BHC (alpha-, beta-, gamma-); NSC7909; NSC8093; JLYXXMFPNIAWKQ-GPIVLXJGSA-N; JLYXXMFPNIAWKQ-LKPKBOIGSA-N; JLYXXMFPNIAWKQ-UHFFFAOYSA-N; NINDS_000701; HMS1923K17; HMS2091E05; HMS2230C24; HMS2231A06; HMS3369J21; Pharmakon1600-00330071; Benzene hexachloride-.alpha.-isomer; cpd with unspecified stereochemistry; HY-A0085; NSC-7909; NSC-8093; NSC11807; NSC11808; a-Hexachlorocyclohexane (HCH, BHC); Benzene Hexachloride (gamma-Isomer); Hexachlorocyclohexane,.gamma.-isomer; Tox21_111294; Tox21_200676; Tox21_201777; Tox21_202069; Tox21_202290; Tox21_300624; Tox21_300953; Tox21_302925; Tox21_303873; 7644AF; BDBM50410525; beta-HCH 100 microg/mL in Toluene; CCG-39862; LS-242; MFCD00135947; NSC-11807; NSC-11808; NSC755895; SBB061412; alpha-HCH 100 microg/mL in Acetone; AKOS015903494; AKOS015914103; AKOS024390982; beta-HCH 1000 microg/mL in Toluene; Cyclohexane,2,3,4,5,6-hexachloro-; HEXACHLOROCYCLOHEXANE (MIXTURE); ZINC100068484; ZINC100076865; ZINC100076868; ZINC100899052; ZINC245204924; ZINC263584078; 1,2,3,4,5,6-hexachloro-cyclohexane; alpha-HCH 1000 microg/mL in Toluene; beta-HCH 10 microg/mL in Cyclohexane; DB00431; delta-HCH 1000 microg/mL in Toluene; FCH1320285; gamma-HCH 1000 microg/mL in Toluene; LS-7424; LS-7425; LS-7426; NSC-755895; (1alpha,2alpha,3alpha,4alpha,5alpha,6beta)-1,2,3,4,5,6-Hexachlorocyclohexane; alpha-HCH 10 microg/mL in Cyclohexane; Cyclohexane, 1,2,3,4,5,6-hexachloro-, (1alpha,2alpha,3alpha,4alpha,5alpha,6beta)-; delta-HCH 10 microg/mL in Cyclohexane; epsilon-HCH 100 microg/mL in Methanol; g-1,2,3,4,5,6-Hexachlorocyclohexane; gamma-HCH 10 microg/mL in Cyclohexane; gamma-HCH 1000 microg/mL in Methanol; IDI1_000701; (.+/-.)-.alpha.-Hexachlorocyclohexane; alpha-HCH 100 microg/mL in Cyclohexane; alpha-HCH 1000 microg/mL in n-Hexane; Cyclohexane,1,2,3,4,5,6-hexachloro-; delta-HCH 100 microg/mL in Cyclohexane; delta-HCH 1000 microg/mL in n-Hexane; gamma-HCH 100 microg/mL in Cyclohexane; NCGC00094546-01; NCGC00094546-02; NCGC00094546-03; NCGC00094546-05; NCGC00094546-06; NCGC00094546-07; NCGC00094546-08; NCGC00094546-09; NCGC00094546-10; NCGC00094546-11; NCGC00159386-02; NCGC00159386-03; NCGC00159386-04; NCGC00159386-05; NCGC00163943-01; NCGC00163943-02; NCGC00163943-03; NCGC00163943-04; NCGC00163943-05; NCGC00248792-01; NCGC00254541-01; NCGC00254855-01; NCGC00256383-01; NCGC00258230-01; NCGC00259326-01; NCGC00259618-01; NCGC00259839-01; NCGC00357135-01; 119911-70-5; 55963-79-6; 6108-13-0; AC-11679; CAS-319-84-6; CAS-319-86-8; CC-02682; epsilon-HCH 10 microg/mL in Cyclohexane; LS-56881; epsilon-HCH 100 microg/mL in Cyclohexane; SBI-0051430.P003; .delta.,2,3,4,5,6-Hexachlorocyclohexane; Lindane, PESTANAL(R), analytical standard; LS-185311; LS-193399; LS-193400; LS-193401; .alpha.-1,2,3,4,5,6-Hexachlorcyclohexane; FT-0603490; FT-0606175; FT-0647466; HCH (technical) 10 microg/mL in Isooctane; ST51047431; V0158; WLN: L6TJ AG BG CG DG EG FG .delta.; .alpha.-1,2,3,4,5,6-Hexachlorocyclohexane; .gamma.-1,2,3,4,5,6-Hexachlorocyclohexane; 1,2,3,4,5,6-.gamma.-Hexachlorocyclohexane; alpha-HCH, PESTANAL(R), analytical standard; beta-HCH, PESTANAL(R), analytical standard; delta-HCH, PESTANAL(R), analytical standard; C06988; C07075; C15214; C18738; D00360; 1,2,3,4,5,6-Hexachlorocyclohexane (.gamma.); 1,3,4,5,6-Hexachlorcyclohexane, .beta. isomer; AB00052031_02; Cyclohexane,2,3,4,5,6-hexachloro-, .delta.-; delta-BHC, vial of 100 mg, analytical standard; 1,2,3,4,5,6-hexachlorocyclohexane, alpha isomer; 1,3,4,5,6-Hexachlorocyclohexane, .gamma. isomer; 135764-EP2275422A1; 135764-EP2292608A1; alpha-1,2,3,4,5,6-Hexachlorocyclohexane, 99%; Benzene-1,2,3,4,5,6-hexachloride ((Ambiguous); C-18255; Cyclohexane, .alpha.-1,2,3,4,5,6-hexachloro-; Cyclohexane, 1,2,3,4,5,6-hexachloro-, delta-; Q282003; .delta.-(aeeee)-1,3,4,5,6-Hexachlorocyclohexane; 1,2,3,4,5,6-Hexachlorocyclohexane (gamma-Isomer); Cyclohexane, 1,2,3,4,5,6-hexachloro-, .alpha.-; Cyclohexane, 1,2,3,4,5,6-hexachloro-, .beta.-; Cyclohexane, 1,2,3,4,5,6-hexachloro-, .gamma.-; J-018587; J-018588; J-018589; LINDANE (BENZENE HEXACHLOROIDE-GAMMA ISOMER); Q6445839; SR-05000001837-1; SR-05000001837-4; alpha-HCH, certified reference material, TraceCERT(R); Cyclohexane,2,3,4,5,6-hexachloro-, .delta.-isomer; Q10860138; Q23014122; Cyclohexane, 1,2,3,4,5,6-hexachloro-, .alpha.-isomer; Cyclohexane, 1,2,3,4,5,6-hexachloro-, delta- (8CI); UNII-5477B350EK component JLYXXMFPNIAWKQ-CDRYSYESSA-N; UNII-5477B350EK component JLYXXMFPNIAWKQ-GNIYUCBRSA-N; UNII-5477B350EK component JLYXXMFPNIAWKQ-LKPKBOIGSA-N; UNII-5477B350EK component JLYXXMFPNIAWKQ-SHFUYGGZSA-N; UNII-IVM9A2N49K component JLYXXMFPNIAWKQ-LKPKBOIGSA-N; UNII-IVM9A2N49K component JLYXXMFPNIAWKQ-SHFUYGGZSA-N; (1a,2a,3a,4ss,5a,6ss)-1,2,3,4,5,6-hexachlorocyclohexane; (1a,2a,3a,4ss,5ss,6ss)-1,2,3,4,5,6-hexachlorocyclohexane; (1a,2a,3b,4a,5b,6b)-1,2,3,4,5,6-Hexachlorocyclohexane; (1a,2a,3ss,4a,5ss,6ss)-1,2,3,4,5,6-hexachlorocyclohexane; (1a,2ss,3a,4ss,5a,6ss)-1,2,3,4,5,6-hexachlorocyclohexane; (1r,2c,3c,4t,5c,6t)-1,2,3,4,5,6-hexachlorocyclohexane; (1r,2c,3t,4t,5c,6t)-1,2,3,4,5,6-hexachlorocyclohexane; (1R,2r,3S,4R,5s,6S)-1,2,3,4,5,6-hexachlorocyclohexane; (1R,2S,3r,4R,5S,6r)-1,2,3,4,5,6-hexachlorocyclohexane; (1R,2S,3r,4R,5S,6s)-1,2,3,4,5,6-Hexachlorocyclohexane; (1s,2R,3R,4s,5S,6S)-1,2,3,4,5,6-hexachlorocyclohexane; Lindane, United States Pharmacopeia (USP) Reference Standard; InChI=1/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6; Lindane, Pharmaceutical Secondary Standard; Certified Reference Material; (1.alpha.,3.alpha.,4.beta.,5.alpha.,6.beta.)-1,2,3,4,5,6-Hexachlorocyclohexane; (1.alpha.,3.beta.,4.alpha.,5.alpha.,6.beta)-1,2,3,4,5,6-Hexachlorocyclohexane; (1alpha,2alpha,3alpha,4alpha,5alpha,6alpha)-1,2,3,4,5,6-Hexachlorocyclohexane; (1alpha,2alpha,3alpha,4alpha,5beta,6beta)-1,2,3,4,5,6-Hexachlorocyclohexane; (1alpha,2alpha,3beta,4alpha,5alpha,6beta)-1,2,3,4,5, 6-hexachlorocyclohexane; (1alpha,2alpha,3beta,4beta,5alpha,6beta)-1,2,3,4,5,6-hexachlorocyclohexane; 1-.alpha.,2-.alpha.,3-.beta.,4-.alpha.,5-.beta.,6-.beta.-Hexachlorocyclohexane; beta-HCH solution, 100 mug/mL in methanol, PESTANAL(R), analytical standard; Cyclohexane, 1,2,3,4,5,6-hexachloro-, (1alpha,2alpha,3alpha,4alpha,5alpha,6alpha)-; Cyclohexane, 1,2,3,4,5,6-hexachloro-, (1alpha,2alpha,3alpha,4alpha,5beta,6beta)-; 1,2,3,4,5,6-Hexachlorocyclohexane, (1.alpha.,2.alpha.,3.beta.,4.alpha.,5.beta.,6.beta.)-; Cyclohexane, 1,2,3,4,5,6-hexachloro-, (1.alpha.,2.alpha.,3.alpha.,4.beta.,5.beta.,6.beta.)-; Cyclohexane,2,3,4,5,6-hexachloro-, (1.alpha.,2.alpha.,3.alpha.,4.beta.,5.alpha.,6.beta.)-; HCH, PESTANAL(R), analytical standard, mixture of isomers (alpha:beta:gamma:delta=1:1:1:1);",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C6H6Cl6",
"molecular_weight": "290.8",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "727",
"classification": "P",
"indications": "",
"side_effects": "",
"atc_codes": "P03AB02",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01774",
"RC02395",
"RC03016"
]
},
{
"compound_ID": "D0772",
"name": "alpha-amylcinnamyl alcohol",
"synonyms": "Buxinol; 2-Benzylidene-1-heptanol; 2-Amyl-3-phenyl-2-propen-1-ol; 2-Benzylideneheptanol; alpha-Amylcinnamyl alcohol; 101-85-9; alpha-Amylcinnamic alcohol; 1-Heptanol, 2-(phenylmethylene)-; 2-benzylideneheptan-1-ol; 1-HEPTANOL, 2-BENZYLIDENE-; FEMA No. 2065; 2-(Phenylmethylene)-1-heptanol; EINECS 202-982-8; BRN 3127316; UNII-6240Z8QTPR; 2-Pentylcinnamic alcohol; AI3-28807; (E)-alpha-amylcinnamyl alcohol; 6240Z8QTPR; (E)-2-benzylideneheptan-1-ol; alpha-Pentylcinnamyl alcohol; 2-Pentyl-3-phenylprop-2-en-1-ol; a-amylcinnamyl alcohol; 184900-07-0; (2E)-2-benzylideneheptan-1-ol; 2-Pentyl-3-phenyl-2-propen-1-ol; ALPHA-AMYLCINNAMYLALCOHOL; (2E)-2-Pentyl-3-phenyl-2-propen-1-ol; .alpha.-Amylcinnamic alcohol; .alpha.-Amylcinnamyl alcohol; 3-06-00-02542 (Beilstein Handbook Reference); SCHEMBL1171617; LIPHCKNQPJXUQF-SDNWHVSQSA-N; alpha-Amylcinnamyl alcohol, (E)-; ZINC5192544; 0494AA; 2-Pentyl-3-phenylprop-2-en-1-ol.; AKOS024319237; LS-2560; (E)-2-Amyl-3-phenyl-2-propene-1-ol; 1-Heptanol, 2-(phenylmethylene)-, (E)-; ST2416483; alpha-Amylcinnamyl alcohol, analytical standard; Q27263433; UNII-DKB52S61GU component LIPHCKNQPJXUQF-SDNWHVSQSA-N; alpha-Amylcinnamyl alcohol, mixture with Amyl hydrocinnamyl alcohol; alpha-Amylcinnamyl alcohol, United States Pharmacopeia (USP) Reference Standard;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C14H20O",
"molecular_weight": "204.31",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "5368491",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01775",
"RC02396",
"RC03017"
]
},
{
"compound_ID": "D0773",
"name": "ambazone",
"synonyms": "Ambazone; Ambazon; 539-21-9; Faringosept; Inversal; Ivertol; Primal; Guanothiazon; Anginon; Iversal; Promassol; Ambazonum [INN-Latin]; Ambazona [INN-Spanish]; Ambazone [INN:BAN:DCF]; CCRIS 1926; Benzoquinone guanylhydrazone thiosemicarbazone; UNII-BYK4592A3Q; DC 0572; p-Benzoquinone amidinohydrazone thiosemicarbazone; MLS001240207; EINECS 208-713-0; BYK4592A3Q; 1,4-Benzoquinone guanylhydrazone thiosemicarbazone; 1-Amidinohydrazono-4-thiosemicarbazono-2,5-cyclohexadiene; 4-Amidinohydrazono-2,5-cyclohexadien-1-on-thiosemicarbazon; NCGC00164514-01; Ambazona; Ambazonum; SMR000674566; ((4-Oxo-2,5-cyclohexadien-1-ylidene)amino)guanidine thiosemicarbazone; Hydrazinecarbothioamide, 2-(4-((aminoiminomethyl)hydrazono)-2,5-cyclohexadien-1-ylidene)-; Guanidine, ((4-oxo-2,5-cyclohexadien-1-ylidene)amino)-, thiosemicarbazone; Ambazone (INN); C8H11N7S; Faringosept (TN); [4-[2-(diaminomethylidene)hydrazinyl]phenyl]iminothiourea; DSSTox_CID_26407; DSSTox_RID_81587; DSSTox_GSID_46407; SCHEMBL457920; HYD014; SCHEMBL1649608; CHEMBL2103762; CHEMBL3198213; DTXSID3046407; SCHEMBL11887782; BDBM53352; cid_1549158; CHEBI:134962; HMS2231L21; ZINC1550965; Tox21_112149; STL200147; AKOS000622836; AKOS002161802; AKOS005197779; API0010662; DB13697; MCULE-8433703539; NCGC00164514-02; CAS-539-21-9; LS-73851; FT-0661544; 1,4-benzoquinoneguanylhydrazonethiosemicarbazone; D07376; 539A219; Q414317; SR-01000799157; SR-01000799157-2; [4-(2-(diaminomethylidene)hydrazino)phenyl]iminothiourea; [4-[N''-(diaminomethylene)hydrazino]phenyl]iminothiourea; 1-[4-[2-[bis(azanyl)methylidene]hydrazinyl]phenyl]iminothiourea; {[4-(carbamimidamidoimino)cyclohexa-2,5-dien-1-ylidene]amino}thiourea; Hydrazinecarbothioamide, 2-[4-[(aminoiminomethyl)hydrazono]-2,5-cyclohexadien-1-ylidene]; (2E)-2-[(4E)-4-(2-Carbamimidoylhydrazinylidene)cyclohexa-2,5-dien-1-ylidene]hydrazine-1-carbothioamide; (2E)-2-{(4E)-4-[(aminocarbonothioyl)hydrazono]cyclohexa-2,5-dien-1-ylidene}hydrazinecarboximidamide; (2Z)-2-[(4Z)-4-(2-carbamimidoylhydrazinylidene)cyclohexa-2,5-dien-1-ylidene]hydrazinecarbothioamide; N''-{(1Z,4Z)-4-[(aminocarbonothioyl)hydrazono]cyclohexa-2,5-dien-1-ylidene}carbonohydrazonic diamide;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C8H11N7S",
"molecular_weight": "237.29",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "1549158",
"classification": "R",
"indications": "",
"side_effects": "",
"atc_codes": "R02AA01",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01776",
"RC02397",
"RC03018"
]
},
{
"compound_ID": "D0774",
"name": "ami-193",
"synonyms": "Spiramide; AMI-193; Spiramidum; Fluroxyspiramine; 510-74-7; Espiramida; UNII-471LF4O004; 8-[3-(4-Fluorophenoxy)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one; CHEMBL79834; CHEBI:64207; R 5808; R-5808; 471LF4O004; NCGC00024633-02; DSSTox_CID_22579; DSSTox_RID_80051; DSSTox_GSID_42579; Spiramide [INN]; CAS-510-74-7; Spiramidum [INN-Latin]; Espiramida [INN-Spanish]; 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-(4-fluorophenoxy)propyl)-1-phenyl-; 1,3,8-Triazaspiro[4.5]decan-4-one, 8-[3-(4-fluorophenoxy)propyl]-1-phenyl-; 8-(3-(4-Fluorophenoxy)propyl)-1-phenyl-1,3,8-triazaspiro(4.5)decan-4-one; Tocris-0524; Biomol-NT_000039; Biomol-NT_000087; GTPL175; BPBio1_001087; BPBio1_001259; SCHEMBL2110721; DTXSID6042579; BDBM86525; CTK8F7702; FJUKDAZEABGEIH-UHFFFAOYSA-N; ZINC1846593; Tox21_110914; ACM510747; BN0070; CAS_77445; NSC_77445; AKOS024458544; Tox21_110914_1; API0006556; GS-9308; NCGC00024633-01; NCGC00024633-03; NCGC00024633-04; NCGC00024633-05; NCGC00024633-06; NCGC00024633-07; B6335; L023992; SR-01000597677; Q7577785; SR-01000597677-1; BRD-K94512704-001-02-1; 8-[3-(4-Fluorophenoxy)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]-decanone; 1,3,8-Triazaspiro[4.5]decan-4-one, 8-[3-(p-fluorophenoxy)propyl]-1-phenyl-;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C22H26FN3O2",
"molecular_weight": "383.5",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "68186",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01777",
"RC02398",
"RC03019"
]
},
{
"compound_ID": "D0775",
"name": "aminoquinuride dihydrochloride",
"synonyms": "Aminoquinurid dihydrochlorid; Aminoquinuride dihydrochloride; UNII-P2YT71SUIU; Aminoquinuride hydrochloride; 5424-37-3; Aminoquincarbamide dihydrochloride; EINECS 226-566-0; NSC 12155; P2YT71SUIU; 1,3-Bis(4-amino-2-methyl-6-quinolyl)urea dihydrochloride; Bis-(2-methyl-4-amino-6-quinolyl)carbamide dihydrochloride; DSSTox_CID_25083; DSSTox_RID_80658; DSSTox_GSID_45083; Urea, 1,3-bis(4-amino-2-methyl-6-quinolyl)-, dihydrochloride; Aminoquinuride HCl; CAS-5424-37-3; NCGC00013130-03; NCGC00013130-04; NSC-12155 (surfen); SCHEMBL6765142; CHEMBL2132372; DTXSID1045083; 1,3-Bis(4-amino-2-methyl)-6-chinolyl)urea dihydrochlorid; 1,3-Bis(4-amino-2-methyl0-6-chinolyl)urea dihydrochlorid; AOB2146; Urea, N,N'-bis(4-amino-2-methyl-6-quinolinyl)-, dihydrochloride; Tox21_110013; Tox21_110013_1; AS-16709; LS-158956; Q27286051; Urea, N,N'-bis(4-amino-2-methyl-6-quinolinyl)-, dihydrochloride (9CI);",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C21H22Cl2N6O",
"molecular_weight": "445.3",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "79472",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01778",
"RC02399",
"RC03020"
]
},
{
"compound_ID": "D0776",
"name": "amorolfine",
"synonyms": "Amorolfine; 78613-35-1; amorolfin; Loceryl; Amorolfinum; Amorolfina; CHEBI:599440; NCGC00167524-01; 67467-83-8; (+-)-cis-2,6-Dimethyl-4-(2-methyl-3-(p-tert-pentylphenyl)propyl)morpholine; DSSTox_CID_26690; DSSTox_RID_81824; DSSTox_GSID_46690; Ro 14-4767-002; meso-2,6-dimethyl-4-(2-methyl-3-(p-tert-pentylphenyl)propyl)morpholine; (2R,6S)-2,6-dimethyl-4-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propyl]morpholine; (2R,6S)-2,6-dimethyl-4-{2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propyl}morpholine; cis-4-[3-[4-(1,1-Dimethylpropyl)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine; meso-2,6-dimethyl-4-{2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propyl}morpholine; CAS-78613-35-1; Ro 14-4767/002; Morpholine, 4-(3-(4-(1,1-dimethylpropyl)phenyl)-2-methylpropyl)-2,6-dimethyl-; Loceryl (TN); Amorolfine-Hydrochloride; 106614-68-0; Amorolfine (USAN/INN); Ro-14-4767-002; SCHEMBL150666; CHEMBL489411; DTXSID0046690; CTK5C6210; MQHLMHIZUIDKOO-AYHJJNSGSA-N; HMS2089I20; Tox21_112521; DL-246; AKOS015896221; Tox21_112521_1; AC-1982; DB09056; NCGC00167524-02; NCGC00167524-03; CC-24100; SC-75124; LS-176596; Ro-144767000; TX-017422; FT-0080245; FT-0601559; D02923; AB01274715-01; AB01274715-02; AB01274715_03; AB01274715_04; 613A351; A839459; C-19530; Q123195; SR-05000001441; SR-05000001441-1; (+/-)-cis-2,6-dimethyl-4-[2-methyl-3-(p-t-pentylphenyl)propyl]-morpholin; (2S,6R)-2,6-dimethyl-4-(2-methyl-3-(4-tert-pentylphenyl)propyl)morpholine; (2S,6R)-4-[3-[4-(1,1-dimethylpropyl)phenyl]-2-methyl-propyl]-2,6-dimethyl-morpholine;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C21H35NO",
"molecular_weight": "317.5",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "54260",
"classification": "D",
"indications": "",
"side_effects": "",
"atc_codes": "D01AE16",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01779",
"RC02400",
"RC03021"
]
},
{
"compound_ID": "D0777",
"name": "amsacrine hydrochloride",
"synonyms": "Amsacrine hydrochloride; 54301-15-4; m-Amsa hydrochloride; M-Amsacrine; Amsacrine (hydrochloride); UNII-U66HX4K4CO; NCI-C03190; U66HX4K4CO; NSC 141549; METHANESULFON-M-ANISIDIDE 4'-(9-ACRIDINYLAMINO)-,; NCGC00093644-01; 4'-(9-Acridinylamino)methanesulfon-m-aniside monohydrochloride; 4-(9-Acridinylamino)-N-(methanesulfonyl)-m-anisidine hydrochloride; Methanesulfon-m-anisidine, 4'-((9-acridinyl)amino)-, hydrochloride; Methanesulfone-m-anisidine-4'-((9-acridinyl)amino) hydrochloride; Methanesulfonyl-m-anisidine, 4'-(9-acridinylamino)-, monohydrochloride; N-(4-(9-Acridinylamino)-3-methoxyphenyl)-methanesulfonamide monohydrochloride; N-(4-(9-Acridinylamino)-3-methoxyphenyl)methanesulfonamidemonohydrochloride; MLS002153376; Amsacrine HCl; Methanesulfon-m-anisidide, 4'-(9-acridinylamino)-, monohydrochloride; SMR000875352; C21H19N3O3S.ClH; CCRIS 9342; Methanesulfone-m-anisidine-4'-[(9-acridinyl)amino] hydrochloride; N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide;hydrochloride; DSSTox_CID_17186; DSSTox_RID_79305; DSSTox_GSID_37186; SCHEMBL1320825; CHEMBL1256655; DTXSID2037186; AOB4198; Tox21_111212; Tox21_500154; 3442AH; HY-13551A; MFCD07799963; NSC141549; s5627; CCG-221458; CS-1943; INB0000947; LP00154; Methanesulfonamide, N-(4-(9-acridinylamino)-3-methoxyphenyl)-, monohydrochloride (9CI); Methansulfon-m-aniside, monohydrochloride; NCGC00260839-01; LS-90297; CAS-54301-15-4; EU-0100154; FT-0658261; A 9809; Amsacrine hydrochloride, >=98% (TLC), powder; SR-01000075699; SR-01000075699-1; Q27290741; N-(4-(Acridin-9-ylamino)-3-methoxyphenyl)methanesulfonamide hydrochloride; Methanesulfonamide, N-(4-(9-acridinylamino)-3-methoxyphenyl)-, monohydrochloride; N-(4-(9-ACRIDINYLAMINO)-3-METHOXYPHENYL)METHANESULFONAMIDE MONOHYDROCHLORIDE; AMSA hydrochloride;m-AMSA hydrochloride;CI-880 hydrochloride;SN-11841 hydrochloride;acridinyl anisidide hydrochloride;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C21H20ClN3O3S",
"molecular_weight": "429.9",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "96-98%",
"half_life": "8-9 hours",
"absorption": "Poorly absorbed",
"cid": "148673",
"classification": "L",
"indications": "",
"side_effects": "",
"atc_codes": "L01XX01",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01780",
"RC02401",
"RC03022"
]
},
{
"compound_ID": "D0778",
"name": "amyl cinnamal",
"synonyms": "2-Benzylideneheptanal; Jasminaldehyde; Jasminal; Flomine; Amyl cinnamal; Jasmine aldehyde; 2-Pentylcinnamaldehyde; Amylcinnamal; Pentylcinnamaldehyde; alpha-Amyl cinnamaldehyde; 2-(Phenylmethylene)heptanal; Amylcinnamic acid aldehyde; Amylcinnamaldehyde; Amyl cinnamic aldehyde; alpha-Amylcinnamaldehyde; alpha-Amylcinnamicaldehyde; alpha-Pentyl-beta-phenylacrolein; Heptanal, 2-benzylidene-; (2Z)-2-benzylideneheptanal; 122-40-7; alpha-Amyl-beta-phenylacrolein; NSC 6649; Heptanal, 2-(phenylmethylene)-; 2-(Phenylmethylene)-heptanal; Amylcinnamic aldehyde; FEMA No. 2061; Heptanal, 2-(phenylmethylene); CCRIS 1342; alpha-Amylcinnamaldehyde (natural); CINNAMALDEHYDE, alpha-PENTYL-; EINECS 204-541-5; EINECS 215-565-0; BRN 0511292; (Z)-alpha-amylcinnamaldehyde; UNII-06T2G22P2C; AI3-00658; 2-pentyl-3-phenyl-2-propenal; CHEBI:32318; Cinnamaldehyde, .alpha.-pentyl-; 06T2G22P2C; 2-Propenal, 3-phenyl-, monopentyl deriv; alpha-Pentylcinnamaldehyde; a-amylcinnamaldehyde; alpha-n-Amylcinnamaldehyde; .alpha.-Amylcinnamaldehyde; alpha-Amylcinnamic aldehyde; .alpha.-Pentylcinnamaldehyde; .alpha.-Amylcinnamic aldehyde; jasminaldehyd; .alpha.-Amyl-.beta.-phenylacrolein; .alpha.-Amyl cinnamic aldehyde; HSDB 8003; cis-Jasminaldehyde; NCGC00166216-01; 1331-92-6; 2-benzylidene-heptanal; 2-Benzylideneheptanal.; a-Pentyl-b-phenylacrolein; alpha-Pentyl-Cinnamaldehyde; a-Pentylcinnamaldehyde, 8CI; .alpha.-n-Amylcinnamaldehyde; Alpha Amyl Cinnamic Aldehyde; alpha-n-amylcinnamic aldehyde; 2-07-00-00310 (Beilstein Handbook Reference); alpha-Amylcinnamaldehyde, cis-; Cinnamaldehyde, .alpha.-amyl-; .alpha.-n-Amylcinnamic aldehyde; alpha-Amylcinnamaldehyde, (Z)-; CHEMBL1611291; FEMA 2061; HMKKIXGYKWDQSV-KAMYIIQDSA-N; (2Z)-2-(phenylmethylene)heptanal; 2-(Phenylmethylene)heptanal, 9CI; 2-Pentyl-3-phenyl-2-propenal #; alpha-Amyl-alpha-amylcinnamaldehyde; ZINC1874357; (2Z)-2-(phenylmethylidene)heptanal; (Z)-2-Pentyl-3-phenylacrylaldehyde; STK208488; NATURAL AMYL CINNAMIC ALDEHYDE; (2Z)-2-Pentyl-3-phenyl-2-propenal; AKOS000120887; DB14175; LS-2557; NCGC00166216-02; AK114526; Heptanal, 2-(phenylmethylene)-, (2Z)-; AX8017818; C12288; A804888; Q27114867; UNII-WC51CA3418 component HMKKIXGYKWDQSV-KAMYIIQDSA-N; 101365-33-7;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C14H18O",
"molecular_weight": "202.29",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "1712058",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01781",
"RC02402",
"RC03023"
]
},
{
"compound_ID": "D0779",
"name": "amylmetacresol",
"synonyms": "5-Methyl-2-pentylphenol; Amylmetacresol; 1300-94-3; 6-Amyl-m-cresol; 6-Pentyl-m-cresol; 6-n-Amyl-m-cresol; 6-n-Pentyl-m-cresol; 5-methyl-2-n-pentylphenol; amylmetacresolum; Amilmetacresol [Spanish]; Amylmetacresolum [Latin]; Amylmetacresol [INN:BAN]; Phenol, 5-methyl-2-pentyl-; BRN 2440952; UNII-05W904P57F; m-Cresol, 6-pentyl-; 2-Amyl-5-methylphenol; EINECS 215-094-0; CHEBI:48213; 05W904P57F; NCGC00180998-01; AK-57298; 53043-14-4; W-108357; Amilmetacresol; Amyl metacresol; 6-AMYL META CRESOL; DSSTox_CID_26791; DSSTox_RID_81908; DSSTox_GSID_46791; 3-06-00-02005 (Beilstein Handbook Reference); SCHEMBL302197; CHEMBL1512677; DTXSID8046791; CTK6D7214; KS-00000F7A; ZINC2039651; ZX-AT015305; Tox21_112651; 6004AF; s6173; STL453583; AKOS015912095; Phenol, 5-methyl-2-pentyl- (9CI); DB13908; OR30625; 5-methyl-2-N-pentylphenol, AldrichCPR; DS-15450; LS-55434; CAS-1300-94-3; AX8104727; FT-0620948; ST24044872; SR-01000944860; Q1946346; SR-01000944860-1;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C12H18O",
"molecular_weight": "178.27",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "Rapidly absorbed and eliminated [L2574].",
"cid": "14759",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01782",
"RC02403",
"RC03024"
]
},
{
"compound_ID": "D0780",
"name": "anthrone",
"synonyms": "ANTHRONE; 90-44-8; 9(10H)-Anthracenone; Carbothrone; Anthranone; 9-Oxoanthracene; 10H-anthracen-9-one; 9,10-Dihydro-9-oxoanthracene; anthracen-9(10H)-one; Az-O; Anthracene, 9,10-dihydro-9-oxo-; UNII-FP0FJ7K744; CCRIS 3175; CHEBI:33835; HSDB 2158; NSC 1965; EINECS 201-994-0; AI3-11256; CHEMBL124440; FP0FJ7K744; 9,10-Dihydro-9-ketoanthracene; RJGDLRCDCYRQOQ-UHFFFAOYSA-N; MFCD00001187; Anthrone, ACS reagent; Anthrone, 95%, pure; 10-hydroanthracen-9-one; A-8100; 9-anthrone; Anthrone, 96%; (10H)-9-Anthracenone; ACMC-209r6c; Epitope ID:116188; DSSTox_CID_29391; DSSTox_RID_83506; DSSTox_GSID_49431; SCHEMBL18143; Anthrone, analytical standard; Anthrone, ACS reagent, 97%; Anthracene,10-dihydro-9-oxo-; DTXSID1049431; NSC1965; Anthracen-9(10H)-one (Anthrone); KS-00000X6X; NSC-1965; STR00681; ZINC1017610; ZX-AT014893; Tox21_202949; ANW-39490; BBL019139; BDBM50060860; GT1240; OR2355; SBB067201; STL199162; 9,10-DIHYDROANTHRACEN-9-ONE; AKOS000118893; API0001513; MCULE-4738697706; RTR-028433; TRA0034721; CAS-90-44-8; NCGC00260495-01; DA-01280; L978; LS-20749; SC-22375; SY010357; AB1002693; BB0295089; TR-028433; A0509; FT-0622426; ST50825369; A-8759; 001A187; AP-065/41069590; Q411768; F0001-2207; InChI=1/C14H10O/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-8H,9H;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C14H10O",
"molecular_weight": "194.23",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "7018",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01783",
"RC02404",
"RC03025"
]
},
{
"compound_ID": "D0781",
"name": "apigenin",
"synonyms": "apigenin; 520-36-5; 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one; Chamomile; Versulin; Spigenin; Apigenol; 4',5,7-Trihydroxyflavone; Apigenine; C.I. Natural Yellow 1; Pelargidenon 1449; 5,7,4'-Trihydroxyflavone; NSC 83244; 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone; 5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one; 2-(p-Hydroxyphenyl)-5,7-dihydroxychromone; UCCF 031; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-; 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; UNII-7V515PI7F6; CCRIS 3789; CHEBI:18388; 4′,5,7-Trihydroxyflavone; CHEMBL28; EINECS 208-292-3; BRN 0262620; FLAVONE, 4',5,7-TRIHYDROXY-; KZNIFHPLKGYRTM-UHFFFAOYSA-N; 7V515PI7F6; NSC83244; MFCD00006831; NSC-83244; AK-88794; CAS-520-36-5; ST056301; DSSTox_CID_2391; DSSTox_RID_76568; DSSTox_GSID_22391; 8002-66-2; Q-100586; Q-200822; SMR000326850; SR-01000075663; Chamomile Powder; HSDB 7573; 4der; 4dgm; 4hkk; Naringenin, 18; Prestwick_719; Apigenin, 13; PubChem9831; Tocris-1227; 3cf9; 4',7-Trihydroxyflavone; BiomolKI_000078; Prestwick0_000414; Prestwick1_000414; Prestwick2_000414; Prestwick3_000414; Spectrum2_000428; Spectrum3_001882; Spectrum4_001999; Lopac-A-3145; BiomolKI2_000082; 4,5, 7-Trihydroxyflavone; Lopac0_000065; Oprea1_622293; SCHEMBL19428; 4',5,7-trihydroxy-Flavone; Apigenin, analytical standard; BSPBio_000368; BSPBio_003384; KBioGR_002565; SPECTRUM200846; 5-18-04-00574 (Beilstein Handbook Reference); MLS000697626; MLS000859991; MLS001074874; MLS006011839; BIDD:ER0135; DivK1c_000798; SCHEMBL222227; SPBio_000416; SPBio_002307; ghl.PD_Mitscher_leg0.1194; BDBM7458; BPBio1_000406; GTPL4136; MEGxp0_000176; DTXSID6022391; ACon1_002450; cid_5280443; HMS502H20; KBio1_000798; KBio3_002887; BIK9018; OR7265T; NINDS_000798; ZX-AFC000435; Bio1_000376; Bio1_000865; Bio1_001354; HMS1569C10; HMS1922P22; HMS2096C10; HMS2230D17; HMS3260M11; HMS3267D21; HMS3373B18; HMS3412A08; HMS3561P09; HMS3655D18; HMS3676A08; Apigenin, >=95.0% (HPLC); 4',5,7-Trihydroxyflavone, 97%; ACN-S003241; BCP28288; HY-N1201; ZINC3871576; ZX-AT019281; Tox21_201542; Tox21_302884; Tox21_500065; Apigenin; 4',5,7-Trihydroxyflavone; BBL010499; BS0030; CCG-40061; GP1532; HSCI1_000221; LMPK12110005; s2262; SBB066087; STK801630; AKOS002140699; AC-8011; ACN-034762; CS-5432; DB07352; EBD2138579; LP00065; LS-2209; MCULE-6141069907; ND-9076; SDCCGMLS-0066379.P001; TRA0067512; IDI1_000798; SMP2_000338; Apigenin, >=97% (TLC), from citrus; NCGC00015049-01; NCGC00015049-02; NCGC00015049-03; NCGC00015049-04; NCGC00015049-05; NCGC00015049-06; NCGC00015049-07; NCGC00015049-08; NCGC00015049-09; NCGC00015049-10; NCGC00015049-11; NCGC00015049-12; NCGC00015049-13; NCGC00015049-14; NCGC00015049-15; NCGC00015049-16; NCGC00015049-18; NCGC00025057-01; NCGC00025057-02; NCGC00025057-03; NCGC00025057-04; NCGC00025057-05; NCGC00025057-06; NCGC00025057-07; NCGC00025057-08; NCGC00025057-09; NCGC00169835-01; NCGC00169835-02; NCGC00169835-03; NCGC00256419-01; NCGC00259092-01; NCGC00260750-01; 4CN-0925; CC-24158; NCI60_041830; SC-05011; SY005957; TS-00897; AB0010536; AB1011450; AX8015784; LY 080400; ST2411642; TC-307820; TR-018510; EU-0100065; FT-0622445; FT-0623582; N1828; SW196866-2; 20A365; A 3145; C01477; J10341; K00045; M-6923; Apigenin, >=97% (TLC), from parsley, powder; Biochem Biophys Res Comm 212: 767 (1997); 4 inverted exclamation marka,5,7-Trihydroxyflavone; 5,7-dihydroxy-2-(4-hydroxyphenyl)-chromen-4-one; Apigenin, primary pharmaceutical reference standard; C-16977; Q424567; 4 inverted exclamation mark ,5,7-trihydroxyflavone; SR-01000075663-1; SR-01000075663-3; SR-01000075663-7; SR-01000075663-8; BRD-K01493881-001-10-4; BRD-K01493881-001-17-9; 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one #; 4H-1-Benzopyran-4-one,7-dihydroxy-2-(4-hydroxyphenyl)-; D50A2D8A-6D8B-4708-B21E-2DE9580D033F; Apigenin, United States Pharmacopeia (USP) Reference Standard; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)- (9CI);",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C15H10O5",
"molecular_weight": "270.24",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "5280443",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [
"T019"
],
"function": [
"F0108",
"F020103"
],
"references": [
"RC01450",
"RC01784",
"RC02405",
"RC03026"
]
},
{
"compound_ID": "D0782",
"name": "aranidipine",
"synonyms": "aranidipine; 86780-90-7; Mpc-1304; Aranidipine [INN]; MPC 1304; CCRIS 6724; 3-METHYL 5-(2-OXOPROPYL) 2,6-DIMETHYL-4-(2-NITROPHENYL)-1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLATE; Sapresta; NCGC00182054-02; DSSTox_CID_28575; DSSTox_RID_82847; DSSTox_GSID_48649; 3-O-methyl 5-O-(2-oxopropyl) 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate; (+-)-Acetonyl methyl 1,4-dihydro-2,6-dimethyl-4-(o-nitrophenyl)-3,5-pyridinedicarboxylate; 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-, methyl 2-oxopropyl ester; CAS-86780-90-7; Sapresta (TN); Aranidipine (JAN/INN); SCHEMBL49910; CHEMBL2104030; DTXSID9048649; CHEBI:31232; Tox21_113003; AC-907; HY-U00212; AKOS015967075; Tox21_113003_1; CS-7341; DB09229; methyl 2-oxopropyl 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylic acid; NCGC00182054-03; K547; ZINC000000600803; DB-090281; LS-131299; FT-0705721; D01562; 780A907; Q4784109;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C19H20N2O7",
"molecular_weight": "388.4",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "Unchanged aranidipine is found in plasma but not in the urine after 1 hour of administration. Just a small amount of drug was found in the bile. These results indicate that the excretion profile of aranidipine is mainly driven by metabolism and not by excretion. When including the metabolites, 52-56% of the original dose is disposed in the urine, 34-45% in feces and 3-4% in expired air. The excretion in the bile was 59% of the administered dose and 63% of this portion is reabsorbed.[L1343]",
"protein_binding": "The binding ratio of plasma proteins of aranidipine varies from 84-95%. This ratio of the drug is similar to the unchanged form and for the M-1 metabolite. Most of the binding happens towards serum albumin and a lower amount corresponds to the alpha1-acid glycoprotein.[L1343]",
"half_life": "The elimination half-life of aranidipine and the M-1 metabolite are 1.1-1.2 hour and 2.7-3.5 hour respectively.[L1343]",
"absorption": "After administration, aranidipine is rapidly absorbed from the gastrointestinal tract. After absorption, the AUC and Cmax increased linearly in a dose-dependent manner, the Cmax was attained in approximate 3.8-4.8 hours for aranidipine and 4.8-6 hours for the metabolite M-1. The bioavailability of aranidipine in rat, dog, and monkey was about 48%, 41% and 3% respectively.[L1343]",
"cid": "2225",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01785",
"RC02406",
"RC03027"
]
},
{
"compound_ID": "D0783",
"name": "aroclor 1260",
"synonyms": "2,2',3,3',4,4'-HEXACHLOROBIPHENYL; AROCLOR 1260; 38380-07-3; Phenoclor DP6; PCB 128; Arochlor 1260; 11096-82-5; 2,3,4,2',3',4'-Hexachlorobiphenyl; 1,1'-Biphenyl, 2,2',3,3',4,4'-hexachloro-; Chlorodiphenyl (60% Cl); UNII-PJ11O9J71Y; CCRIS 901; 2,2',3,3',4,4'-Hexachloro-1,1'-biphenyl; HSDB 1822; PCB-1260; 1,2,3-trichloro-4-(2,3,4-trichlorophenyl)benzene; BRN 2508232; PJ11O9J71Y; PCB-128; Polychlorinated biphenyl (aroclor 1260); PCB 128 (2,2',3,3',4,4'-Hexachlorobiphenyl); Clophen A 60; Aroclor 1260 solution; PCB 1260; DSSTox_CID_101; DSSTox_RID_75367; DSSTox_GSID_20101; SCHEMBL308791; polychlorinated biphenyl 1260; PCB No. 128; CHEMBL3189099; CTK4H9866; DTXSID50858932; BTAGRXWGMYTPBY-UHFFFAOYSA-N; ZINC2521556; Tox21_200183; LS-2210; NCGC00248554-01; NCGC00257737-01; LS-44408; PCB No. 128 10 microg/mL in Isooctane; CAS-11096-82-5; 2,2'3,3',4,4'-Hexachloro-1,1'-biphenyl; AROCHLOR 1260 (9CI) (CHEMICALMIXTURE); 1,1'-Biphenyl,2,2',3,3',4,4'-hexachloro-; 2,2',3,3',4,4'-Hexachloro-1,1'-biphenyl #; J-002495; Q26841006; UNII-416O992G98 component BTAGRXWGMYTPBY-UHFFFAOYSA-N; InChI=1/C12H4Cl6/c13-7-3-1-5(9(15)11(7)17)6-2-4-8(14)12(18)10(6)16/h1-4;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C12H4Cl6",
"molecular_weight": "360.9",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "38018",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01786",
"RC02407",
"RC03028"
]
},
{
"compound_ID": "D0784",
"name": "arotinolol hydrochloride",
"synonyms": "arotinolol hydrochloride; 68377-91-3; Arotinolol HCl; S 596; (+-)-2-(3'-tert-Butylamino-2'-hydroxypropylthio)-4-(5'-carbamoyl-2'-thienyl)thiazole HCl; 2-Thiophenecarboxamide, 5-(2-((3-((1,1-dimethylethyl)amino)-2-hydroxypropyl)thio)-4-thiazolyl)-, monohydrochloride, (+-)-; S-596; Arotinolol hydrochloride [JAN]; Almarl (TN); arotinololhydrochloride; NCGC00181107-01; DSSTox_CID_26849; DSSTox_RID_81958; DSSTox_GSID_46849; SCHEMBL348620; Arotinolol Hydrochloride,(S)-; C15H21N3O2S3.HCl; CHEMBL3185966; DTXSID1046849; Arotinolol hydrochloride (JP17); CHEBI:31239; BCP06721; BCP28628; Tox21_112721; Arotinolol HCl;(S)-arotinolol hydrochloride; AX8114691; CAS-68377-91-3; DB-055145; LS-152938; FT-0602864; D01830; 377A913; C-21860; Q27272409; 5-(2-(3-(tert-butylamino)-2-hydroxypropylthio)thiazol-4-yl)thiophene-2-carboxamide hydrochloride; 5-[2-[[3-(tert-Butylamino)-2-hydroxypropyl]thio]thiazol-4-yl]thiophene-2-carboxamide Hydrochloride; 5-[2-[3-(tert-butylamino)-2-hydroxypropyl]sulfanyl-1,3-thiazol-4-yl]thiophene-2-carboxamide;hydrochloride;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C15H22ClN3O2S3",
"molecular_weight": "408",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "155032",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01787",
"RC02408",
"RC03029"
]
},
{
"compound_ID": "D0786",
"name": "barban",
"synonyms": "BARBAN; 101-27-9; Barbamate; Barbane; Carbine; Carbyne; Chlorinat; Carbin; Karbin; Neoban; Carbyne (herbicide); 4-Chlorobut-2-ynyl 3-chlorophenylcarbamate; Fisons B25; 4-Chloro-2-butynyl m-chlorocarbanilate; 4-Chloro-2-butynyl 3-chlorocarbanilate; 4-Chloro-2-butynyl N-(3-chlorophenyl)carbamate; Carbamic acid, (3-chlorophenyl)-, 4-chloro-2-butynyl ester; Caswell No. 068; CS-847; Barbane [ISO-French]; 2-Butynyl 4-chloro-m-chlorocarbanilate; 4-Chlorobut-2-ynyl-m-chlorocarbanilate; 4-chlorobut-2-yn-1-yl (3-chlorophenyl)carbamate; Chloro-2-butynyl m-chlorocarbamate; A 980; C-847; S 847; Barban [ANSI:BSI:ISO]; NSC 29168; 4-Chloro-2-butynylm-chlorocarbanilate; 2-Butynyl-4-chloro-m-chlorocarbanilate; m-Chlorocarbanilic acid, 4-chloro-2-butynyl ester; A980; S847; 4-Chloro-2-butynyl meta-chlorocarbanilate; HSDB 1514; UNII-33306K781F; EINECS 202-930-4; 2-Butyn-1-ol, 4-chloro-, m-chlorocarbanilate; RCRA waste no. U280; EPA Pesticide Chemical Code 017601; BRN 2376181; (4-Chlor-but-2-in-yl)-N-(3-chlor-phenyl)-carbamat; (4-Chloor-but-2-yn-yl)-N-(3-chloor-fenyl)-carbamaat; (4-Cloro-but-2-in-il)-N-(3-cloro-fenil)-carbammato; (3-Chlorophenyl)carbamic acid 4-chloro-2-butynyl ester; AI3-28201; A-980; S-847; CHEBI:33421; Carbanilic acid, m-chloro-, 4-chloro-2-butynyl ester; 4-Chloro-2-butynyl-m-chlorocarbanilate; (4-Chloor-but-2-yn-yl)-N-(3-chloor-fenyl)-carbamaat [Dutch]; (4-Chlor-but-2-in-yl)-N-(3-chlor-phenyl)-carbamat [German]; (4-Cloro-but-2-in-il)-N-(3-cloro-fenil)-carbammato [Italian]; N-(3-Chloro phenyl) carbamate de 4-chloro 2 butynyle [French]; 4-Chloro-2-butynyl 3-chlorophenylcarbamate; 4-Chloro-2-butynyl m-chlorophenylcarbamate; 33306K781F; Barban, analytical standard; N-(3-Chloro phenyl)carbamate de 4-chloro 2-butynyle; 3-CHLOROCARBANILIC ACID 4-CHLORO-2-BUTYNYL ESTER; N-(m-chlorophenyl)carbamic acid,4-chloro-2-butynyl ester; Barbanate; Caryne; 4-chlorobut-2-ynyl N-(3-chlorophenyl)carbamate; WLN: G2UU2OVMR CG; DSSTox_CID_21617; DSSTox_RID_79788; DSSTox_GSID_41617; SCHEMBL59626; 4-Chloro-2-butynyl m-chlorophenylcarbamate (8CI); N-(3-Chloro phenyl) carbamate de 4-chloro 2 butynyle; CHEMBL1570161; DTXSID3041617; CTK6H4434; MCOQHIWZJUDQIC-UHFFFAOYSA-N; 2-Butyn-1-ol, m-chlorocarbanilate; NSC29168; ZINC1652009; Tox21_300669; 0361AA; Carbamic acid, (3-chlorophenyl)-, 4-chloro-2-butynyl ester (9CI); NSC-29168; AKOS015904119; Carbamic acid, 4-chloro-2-butynyl ester; NCGC00166272-01; NCGC00166272-02; NCGC00254577-01; CAS-101-27-9; CC-14843; LS-50978; Carbanilic acid, 4-chloro-2-butynyl ester; FT-0631535; 4-Chloro-2-butynyl 3-chlorophenylcarbamate #; C19059; C-16049; J-000356; Q9165259; 101555-42-4;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C11H9Cl2NO2",
"molecular_weight": "258.1",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "7551",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01789",
"RC02410",
"RC03031"
]
},
{
"compound_ID": "D0787",
"name": "bardoxolone methyl",
"synonyms": "Bardoxolone methyl; CDDO-Me; CDDO methyl ester; 218600-53-4; RTA 402; NSC 713200; Bardoxolone (methyl); RTA-402; NSC713200; CDDO-Methyl ester; RTA402; UNII-CEG1Q6OGU1; CEG1Q6OGU1; TP-155; NSC-713200; (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-methyl 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-carboxylate; methyl 2-cyano-3,12-dioxooleana-1,9(11)-dien-28-oate; bardoxolone-methyl; NCGC00186460-01; Bardoxolone methyl ester; CDDO-Me, 2; Bardoxolone methyl [USAN]; DSSTox_CID_28690; DSSTox_RID_82960; DSSTox_GSID_48764; Bardoxolone methyl RTA 402; methyl (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-carboxylate; methyl 2-cyano-3,12-dioxoolean-1,9-dien-28-oate; Bardoxolone Methyl (CDDO-Me); GTPL3443; Bardoxolone methyl (JAN/USAN); CHEMBL1762621; DTXSID5048764; SCHEMBL12521530; AOB1215; WPTTVJLTNAWYAO-KPOXMGGZSA-N; 2-cyano-3,12-dioxoolean-1,9-dien-28-oic acid methyl ester; 2-cyano-3,12-dioxooleana-1,9-dien-28-oic acid methyl ester; BDBM217379; BCP04660; ZINC3982151; Tox21_113229; s8078; AKOS025401880; ACN-035790; CS-0598; DB05983; CDDO Methyl Ester, >=98% (HPLC); AC-26830; CSA:218600-53-4;Bardoxolone methyl; HY-13324; CAS-218600-53-4; D09585; NSC 713200; RTA 402; CDDO Methyl ester; Q4860208; (+)-methyl 2-cyano-3,12-dioxooleana-1,9(11)-dien-28-oate; (4aS,6aR,6bS,8aR,12aS,14bS)-Methyl 11-cyano-2,2,6a,6b,9,9,12a-he; Oleana-1,9(11)-dien-28-oic acid, 2-cyano-3,12-dioxo-, methyl ester; methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,6a,6b,7,8,8a,9,10,12a,14,14a,14b-hexadecahydropicene-4a(2H)-carboxylate; RTA-402|||NSC-713200|||CDDO methyl ester|||2-Cyano-3,12-dioxoolean-1,9-dien-28-oic acid methyl ester;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C32H43NO4",
"molecular_weight": "505.7",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "400769",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01790",
"RC02411",
"RC03032"
]
},
{
"compound_ID": "D0788",
"name": "barium bis(2-ethylhexanoate)",
"synonyms": "Barium 2-ethylhexanoate; Barium bis(2-ethylhexanoate); 2457-01-4; MFCD00058696; Hexanoic acid, 2-ethyl-, barium salt (2:1); ACMC-20alrk; Hexanoic acid, 2-ethyl-, barium salt; DSSTox_CID_24888; DSSTox_RID_80561; DSSTox_GSID_44888; SCHEMBL96882; CHEMBL3185176; DTXSID8044888; CTK6D5510; VJFFDDQGMMQGTQ-UHFFFAOYSA-L; EINECS 219-535-8; Tox21_301625; Bis(2-ethylhexanoic acid)barium salt; NCGC00256027-01; CAS-2457-01-4; TC-167879; EC 219-535-8; Q27287419;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C16H30BaO4",
"molecular_weight": "423.7",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "102821",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01791",
"RC02412",
"RC03033"
]
},
{
"compound_ID": "D0789",
"name": "barium chloride",
"synonyms": "Barium chloride; 10361-37-2; Barium dichloride; BaCl2; Barium chloride (BaCl2); Ba 0108E; Barium chloride solution; CCRIS 2286; HSDB 2633; SBA 0108E; EINECS 233-788-1; NSC 146181; Bariumchlorid; DSSTox_CID_24508; DSSTox_RID_80278; WLN: BA G2; DSSTox_GSID_44508; Ba-0108E; DTXSID7044508; Barium chloride, p.a., 99.0%; Barium, Reference Standard Solution; Tox21_301015; 5552AF; LS-373; NSC146181; NSC-146181; NCGC00248255-01; NCGC00254917-01; BP-30126; Barium chloride, 99.9% trace metals basis; CAS-10361-37-2; Barium chloride, 99.999% trace metals basis; EC 233-788-1; Q-200673; Barium standard for AAS, ready-to-use, traceable to BAM, in H2O; Barium chloride, anhydrous, beads, -10 mesh, 99.95% trace metals basis; Barium chloride, anhydrous, beads, -10 mesh, 99.999% trace metals basis; BARIUM CHLORIDE (SEE ALSO: BARIUM CHLORIDE DIHYDRATE (10326-27-9)); Barium atomic spectroscopy standard concentrate 1.00 g Ba, 1.00 g/L, for 1L standard solution;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "BaCl2",
"molecular_weight": "208.23",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "25204",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01792",
"RC02413",
"RC03034"
]
},
{
"compound_ID": "D0790",
"name": "basic blue 7",
"synonyms": "Basic blue 7; Victoria Pure Blue BO; Victoria blue BO; 2390-60-5; Eljon Blue Toner; Silosuper Blue B; Victoria Blue FBO; Victoria Pure Blue; Victoria Pure Blue RB; Aizen Victoria Blue BO; C.I. Basic Blue 7; Calcozine Pure Blue BO; Victoria Pure Blue BGO; Victoria Pure Blue BOC; Victoria Pure Blue BOD; Victoria Pure Blue BON; Victoria Pure Blue BOP; Victoria Pure Blue FBO; Victoria Pure Lake Blue; Hidaco Victoria Blue BGO; Sicilian Blue X-2758; Victoria Blue BON 110; Brilliant Victoria Blue RB; Brilliant Victoria Blue RS; Victoria Pure Ink Blue BO; Victoria Blue, Green Shade; Victoria Pure Lake Blue BO; Mitsui Victoria Pure Blue BO; Aizen Victoria Pure Blue BOH; No. 3772 Forthbrite Blue B; UNII-30F6F48H95; C.I. 42595; Victoria Pure Blue BO CI 42595; 30F6F48H95; Ethanaminium, N-[4-[[4-(diethylamino)phenyl][4-(ethylamino)-1-naphthalenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, chloride; Ethanaminium, N-(4-((4-(diethylamino)phenyl)(4-(ethylamino)-1-naphthalenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, chloride; C33H40N3.Cl; (4-{[4-(diethylamino)phenyl][4-(ethylamino)naphthyl]methylene}cyclohexa-2,5-di enylidene)diethylamine, chloride; Ethanaminium, N-(4-((4-(diethylamino)phenyl)(4-(ethylamino)-1-naphthalenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, chloride (1:1); Ethanaminium, N-[4-[[4-(diethylamino)phenyl][4-(ethylamino)-1-naphthalenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, chloride (1:1); EINECS 219-232-0; NSC 51534; DSSTox_CID_18888; DSSTox_RID_79417; DSSTox_GSID_38888; SCHEMBL23596; SCHEMBL456095; CHEMBL3182706; DTXSID5038888; C.I. Basic Blue 7 (8CI); ROVRRJSRRSGUOL-UHFFFAOYSA-N; NSC51534; Tox21_301536; MFCD00011877; NSC-51534; SBB057293; AKOS015901188; AKOS015903549; DYE0000154; MCULE-4557940631; NCGC00255579-01; 4-{[4-(diethylamino)phenyl][4-(ethylamino)naphthalen-1-yl]methylidene}-N,N-diethylcyclohexa-2,5-dien-1-iminium chloride; CI 42595; T290; CAS-2390-60-5; Victoria Pure Blue BO (C.I. 42595); Victoria Pure Blue BO, analytical standard; Victoria Pure Blue BO, Dye content 90 %; B1301; FT-0622579; ST50997611; Q421673; J-015266; [4-[bis[4-(diethylamino)phenyl]methylidene]naphthalen-1-ylidene]-ethylazanium,chloride; (4-(4-(Diethylamino)-alpha-(4-(ethylamino)-1-naphthyl)benzylidene)cyclohexa-2,5-dien-1-ylidene)diethylammonium chloride; [4-[[4-(diethylamino)phenyl]-[4-(ethylamino)naphthalen-1-yl]methylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium;chloride; Ethanaminium, N-(4-((4-(diethylamino)phenyl)(4-(ethylamino)-1-naphthalenyl)meth- ylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, chloride; N-(4-((4-(Diethylamino)phenyl)(4-(ethylamino)-1-naphthalenyl)meth- ylene)-2,5-cyclohexadien-1-ylidene)-N-ethylethanaminium chloride; N-(4-((4-(diethylamino)phenyl)(4-(ethylamino)naphthalen-1-yl)methylene)cyclohexa-2,5-dienylidene)-N-ethylethanaminium chloride; N-(4-{[4-(diethylamino)phenyl][4-(ethylamino)naphthalen-1-yl]methylidene}cyclohexa-2,5-dien-1-ylidene)-N-ethylethanaminium chloride;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C33H40ClN3",
"molecular_weight": "514.1",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "75444",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01793",
"RC02414",
"RC03035"
]
},
{
"compound_ID": "D0791",
"name": "bazedoxifene",
"synonyms": "Bazedoxifene; 198481-32-2; Conbriza; TSE-424; UNII-Q16TT9C5BK; Q16TT9C5BK; CHEMBL46740; WAY 140424; 1-(4-(2-(azepan-1-yl)ethoxy)benzyl)-2-(4-hydroxyphenyl)-3-methyl-1H-indol-5-ol; Bazedoxifeno; C30H34N2O3; 1-[4-(2-Azepan-1-yl-ethoxy)-benzyl]-2-(4-hydroxy-phenyl)-3-methyl-1H-indol-5-ol; 1H-Indol-5-ol, 1-[[4-[2-(hexahydro-1H-azepin-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methyl-; Bazedoxifene [INN]; Bazedoxifeno [INN-Spanish]; 1-{4-[2-(azepan-1-yl)ethoxy]benzyl}-2-(4-hydroxyphenyl)-3-methyl-1H-indol-5-ol; 1H-Indol-5-ol, 1-((4-(2-(hexahydro-1H-azepin-1-yl)ethoxy)phenyl)methyl)-2-(4-hydroxyphenyl)-3-methyl-; 1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol; SCHEMBL41935; GTPL7355; CTK4E2538; DTXSID70173593; CHEBI:135947; UCJGJABZCDBEDK-UHFFFAOYSA-N; HY-A0031; ZINC1895505; 3473AH; BDBM50099585; AKOS030255808; CS-0932; DB06401; SB19326; 1-[[4-[2-(AZEPAN-1-YL)ETHOXY]PHENYL]METHYL]-2-(4-HYDROXYPHENYL)-3-METHYL-INDOL-5-OL; 1-((4-(2-Hexahydro-1H-azepin-1-yl)ethoxy)phenyl)methyl)-2-(4-hydroxyphenyl)-3-methyl-1H-indol-5-ol; US8815934, No. 98; RT-011426; A15019; W-5320; AB01566901_01; J-012822; Q4875166;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C30H34N2O3",
"molecular_weight": "470.6",
"state": "solid",
"clearance": "The apparent oral clearance of bazedoxifene is approximately 4 to 5 l/h/kg.",
"volume_of_distribution": "Following intravenous administration of a 3 mg dose of bazedoxifene, the volume of distribution is 14.7 ± 3.9 l/kg.",
"route_of_elimination": "The major route of elimination of radio-labelled bazedoxifene is the faeces, and less than 1% of the dose is eliminated in urine.",
"protein_binding": "98-99%.",
"half_life": "~30 hours.",
"absorption": "Bazedoxifene is rapidly absorbed with a tmax of approximately 2 hours and exhibits a linear increase in plasma concentrations for single doses from 0.5 mg up to 120 mg and multiple daily doses from 1 mg to 80 mg. The absolute bioavailability of bazedoxifene is approximately 6%.",
"cid": "154257",
"classification": "G",
"indications": "",
"side_effects": "",
"atc_codes": "G03CC07; G03XC02",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01794",
"RC02415",
"RC03036"
]
},
{
"compound_ID": "D0792",
"name": "beclazone",
"synonyms": "BECLOMETHASONE DIPROPIONATE; Beclometasone dipropionate; 5534-09-8; Beconase; Beclovent; Vancenase; Beclazone; Becloforte; Beclomet; Beclorhinol; Propaderm; Sanasthmax; Sanasthmyl; Vanceril; Aerobec; Aldecin; Becloturmant; Beclacin; Entyderma; Korbutone; Respocort; Viarox; Qvar; Rino-clenil; Beconase AQ; Clenil-A; Beclometasone 17,21-dipropionate; Becotide; Alanase; Aldecina; Aldecine; Atomase; Beclate; Benconase; Rhinosol; Turbinal; Clenil; Spir; Beclocort Nasel; Beclomet Nasal; Propaderm Forte; Rhino Clenil; Inalone O; Inalone R; QNASL; Qvar 80; Vanceril Double Strength; Becodisks; QVAR 40; CHEBI:3002; UNII-5B307S63B2; KUVIULQEHSCUHY-XYWKZLDCSA-N; SCH 18020W; EINECS 226-886-0; KW-053; 9-Chloro-11beta-hydroxy-16beta-methylpregna-1,4-diene-3,20-dione 17,21-dipropionate; 5B307S63B2; 9-Chloro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 17,21-dipropionate; Anceron; Becloval; Viarex; Ventolair; (11beta,16beta)-9-chloro-11-hydroxy-16-methyl-17,21-bis(1-oxopropoxy)pregna-1,4-diene-3,20-dione; (11beta,16beta)-9-chloro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-diene-17,21-diyl dipropanoate; [2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-chloro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate; 9-chloro-16beta-methyl-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 17,21-dipropionate; Pregna-1,4-diene-3,20-dione, 9-chloro-11-hydroxy-16-methyl-17,21-bis(1-oxopropoxy)-, (11beta,16beta)-; Pregna-1,4-diene-3,20-dione, 9-chloro-16-beta-methyl-11-beta,17,21-trihydroxy-, 17,21-dipropionate; C28H37ClO7; Beconasol; Inalone; Menaderm; Beclovent (TN); NCGC00094596-03; Vanceril (TN); CPD001233361; Beclazone 250; Prestwick_990; Qnasl (TN); Beclometasone dipropionato; Prestwick0_000855; Prestwick1_000855; Prestwick2_000855; Prestwick3_000855; beclomethasone-dipropionate; SCHEMBL6890; DSSTox_CID_28656; DSSTox_RID_82926; Propionic acid beclomethasone; DSSTox_GSID_48730; BSPBio_000869; MLS002154034; SPBio_002790; BPBio1_000957; GTPL5894; CHEMBL1200500; DTXSID3048730; CTK8F7938; SCH 8020W; SGX-201; SGX-202; SGX-203; Beclomethasone dipropionate (USP); HMS1570L11; HMS2097L11; HMS2235O23; HMS3259H03; HMS3714L11; Beclometasone dipropionate (JP17); Beclomethasone dipropionate [USAN]; 9-Chloro-11.beta.,17,21-trihydroxy-16.beta.-methylpregna-1,4-diene-3,20-dione 17,21-dipropionate; beclomethasone dipropionate anhydrous; Pregna-1,4-diene-3,20-dione, 9-chloro-11-hydroxy-16-methyl-17,21-bis(1-oxopropoxy)-, (11.beta.,16.beta.)-; ZINC3938744; Tox21_113168; HY-13571A; MFCD00135613; s3078; AKOS015951275; AC-2159; API0001601; CCG-220855; CS-1503; DB00394; NC00610; Beclomethasone dipropionate [USAN:USP]; NCGC00179392-01; SMR001233361; CAS-5534-09-8; AB1009261; LS-118439; B4464; ST24046007; C07813; D00689; W-5080; 32278-EP2281815A1; 32278-EP2295408A1; 32278-EP2301933A1; 32278-EP2305640A2; 32278-EP2311827A1; 534B098; Q421475; BRD-K97810537-001-03-7; BRD-K97810537-001-13-6; Beclomethasone dipropionate, analytical standard, for drug analysis; Beclometasone (beclomethasone) dipropionate, British Pharmacopoeia (BP) Assay Standard; Beclomethasone dipropionate, anhydrous, European Pharmacopoeia (EP) Reference Standard; Beclomethasone Dipropionate, Pharmaceutical Secondary Standard; Certified Reference Material; Beclomethasone dipropionate, United States Pharmacopeia (USP) Reference Standard; [(8S,9R,10S,11S,13S,14S,16S,17R)-9-chloro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-(2-propanoyloxyacetyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate; 2-[(1R,2S,10S,11S,13S,14R,15S,17S)-1-chloro-17-hydroxy-2,13,15-trimethyl-5-oxo-14-(propanoyloxy)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-14-yl]-2-oxoethyl propanoate; 9-Chloro-11|A,17,21-trihydroxy-16|A-methylpregna-1,4-diene-3,20-dione 17,21-dipropionate; 9alpha-chloro-16beta-methyl-3,20-dioxo-1,4-pregnadiene-11beta,17,21-triol 17,21-dipropionate; Beclometasone dipropionate for peak identification, European Pharmacopoeia (EP) Reference Standard; Beclometasone dipropionate for system suitability, European Pharmacopoeia (EP) Reference Standard; Pregna-1-4-diene-3,20-dione, 9-chloro-16-beta-methyl-11-beta,17,21-trihydroxy-,17,21-dipropionate;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C28H37ClO7",
"molecular_weight": "521",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "21700",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01795",
"RC02416",
"RC03037"
]
},
{
"compound_ID": "D0793",
"name": "benzidine",
"synonyms": "BENZIDINE; 92-87-5; 4,4'-Diaminobiphenyl; p-Diaminodiphenyl; [1,1'-Biphenyl]-4,4'-diamine; 4-(4-aminophenyl)aniline; 4,4'-Bianiline; 4,4'-Biphenyldiamine; 4,4'-Diaminodiphenyl; biphenyl-4,4'-diamine; 4,4'-Biphenylenediamine; 4,4'-Diphenylenediamine; p,p'-Diaminobiphenyl; p,p-Bianiline; Fast Corinth Base B; p,p'-Dianiline; Benzidin; Benzidina; Benzydyna; p,p'-Bianiline; Benzioine; RCRA waste number U021; 4,4'-Diamino-1,1'-biphenyl; Benzidine base; p-Benzidine; C.I. Azoic Diazo Component 112; Benzidin [Czech]; 1,1'-Biphenyl-4,4'-Diamine; Benzydyna [Polish]; Benzidina [Italian]; (1,1'-Biphenyl)-4,4'-diamine; NCI-C03361; Biphenyl, 4,4'-diamino-; CCRIS 71; NSC 146476; UNII-2X02101HVF; CI Azoic diazo component 112; HSDB 948; HFACYLZERDEVSX-UHFFFAOYSA-N; C.I. 37225; EINECS 202-199-1; UN1885; Biphenyl,4,4'-diamino-; Benzidine (and its salts); RCRA waste no. U021; BRN 0742770; CI 37225; biphenyl -4,4'-ylenediamine; AI3-00140; CHEBI:80495; 2X02101HVF; 4,4'-Benzidine; DSSTox_CID_137; DSSTox_RID_75390; DSSTox_GSID_20137; 4-(4-aminophenyl)phenylamine; CAS-92-87-5; Bensidine; [1,1'-Biphenyl]-4,4'-diamine, hydrochloride (1:2); p,p'-diaminodiphenyl; [1,4'-diamine; Biphenyl,4'-diamino-; 4.4'- diaminobiphenyl; Acetoacet para Phenetidine; WLN: ZR DR DZ; 4, 4'-Biphenylenediamine; Oprea1_312205; SCHEMBL29021; 4-13-00-00364 (Beilstein Handbook Reference); MLS002303016; ARONIS24425; Benzidine, analytical standard; BIDD:GT0832; CHEMBL15901; IFLab1_004231; BIPHENYL,4,4'-DIAMINO; DTXSID2020137; CTK3I6733; Benzidine [UN1885] [Poison]; Benzidine, >=98.0% (N); HMS3091M16; ZINC265747; Benzidine [UN1885] [Poison]; [4-(4-aminophenyl)-phenyl]-amine; ALBB-005944; Tox21_202359; Tox21_300405; ANW-44091; BBL013163; KM3148; MFCD00039765; NSC146476; SBB060240; STK317796; AKOS000118878; CCG-202856; LS-1939; MCULE-2044272330; NSC-146476; UN 1885; {[1,} 1'-Biphenyl]-4,4'-diamine; IDI1_009986; KS-000011M2; NCGC00091340-01; NCGC00091340-02; NCGC00091340-03; NCGC00254474-01; NCGC00259908-01; 4'-Amino[1,1'-biphenyl]-4-ylamine #; AS-17227; SC-65115; SMR000033596; T991; Benzidine, purum p.a., >=98.0% (N); DB-057341; TC-132836; 4,4'-Benzidine 100 microg/mL in Methanol; Benzidine 2000 microg/mL in Dichloromethane; Benzidine, ISOPAC(R), >=98.0% (N); ST24046012; ST45137851; 4,4'-Benzidine 10 microg/mL in Acetonitrile; 4,4'-Benzidine 100 microg/mL in Acetonitrile; C16444; 092B875; A844372; AC-907/25014310; Q410066; SR-01000596939; [1,1'-biphenyl]-4,4'-diamine (ACD/Name 4.0); SR-01000596939-1; W-204254; 4'-Amino[1,1'-biphenyl]-4-ylamine (ACD/Name 4.0); F1679-0261; Benzidine 2000 microg/mL in Dichloromethane, Second Source; BENZIDINE (SEE ALSO BENZIDINEDIHYDROCHLORIDE 531-85-1); InChI=1/C12H12N2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,13-14H;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C12H12N2",
"molecular_weight": "184.24",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "7111",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01797",
"RC02418",
"RC03039"
]
},
{
"compound_ID": "D0794",
"name": "benzidine dihydrochloride",
"synonyms": "BENZIDINE DIHYDROCHLORIDE; 531-85-1; Benzidine.2HCl; Benzidine hydrochloride; UNII-LVU06XHC39; CCRIS 1412; NSC 3500; EINECS 208-519-6; Dihidrocloruro de benzidina [Spanish]; [1,1'-Biphenyl]-4,4'-diamine, dihydrochloride; LVU06XHC39; Dihidrocloruro de benzidina; (1,1'-Biphenyl)-4,4'-diamine, dihydrochloride; biphenyl-4,4'-diamine dihydrochloride; W-204227; Benzidine HCl; benzidine2hcl; (1,1'-Biphenyl)-4,4'-diamine, hydrochloride (1:2); DSSTox_CID_138; DSSTox_RID_75391; DSSTox_GSID_20138; KSC491E0L; ARONIS24312; SCHEMBL453681; CHEMBL3184470; DTXSID7020138; CTK3J1205; BBC/468; RUAXWVDEYJEWRY-UHFFFAOYSA-N; KS-000010MI; ZX-AS004672; Tox21_202584; 4,4'-Diaminobiphenyl dihydrochloride; ANW-65563; LS-191; MFCD00040389; SBB080747; AKOS005267242; MCULE-2573411096; RTR-018811; TRA0038076; 4-(4-aminophenyl)aniline;dihydrochloride; NCGC00260133-01; CAS-531-85-1; SC-20245; TR-018811; Benzidine dihydrochloride, >=99% (titration); 4-(4-aminophenyl)phenylamine, chloride, chloride; 531B851; Q26841199; BENZIDINE DIHYDROCHLORIDE (SEE ALSO BENZIDINE 92-87-5); Benzidine dihydrochloride, for experimental carcinogenesis, >=99.0%; Biphenyl-4,4'-diamine Dihydrochloride (Benzidine Dihydrochloride);",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C12H14Cl2N2",
"molecular_weight": "257.16",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "10754",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01798",
"RC02419",
"RC03040"
]
},
{
"compound_ID": "D0795",
"name": "benziodarone",
"synonyms": "BENZIODARONE; Dilafurane; Amplivix; Cardivix; Algocor; Dila-Vasal; Retrangor; Corofam; Coronal-crinos; 68-90-6; Benziodaron; Carofam; Plexocardio; Dilacoron; Flanicone; Uricor; 2329 Labaz; L 2329; NSC 82133; UNII-75CL65GTYR; Benziodaronum [INN-Latin]; Benziodarona [INN-Spanish]; EINECS 200-695-2; BRN 1257683; 75CL65GTYR; 2-Ethyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)-cumarone; Benzofuran, 3-(3,5-diiodo-4-hydroxybenzoyl)-2-ethyl-; 3,5-Diiodo-4-hydroxyphenyl 2-ethyl-3-benzofuranyl ketone; CHEMBL232201; Aethyl-2-(3',5'-dijod-4'-oxybenzoyl)-3 cumaron; 2-Ethyl-3-benzofuranyl 4-hydroxy-3,5-diiodophenyl ketone; NCGC00160408-01; Aethyl-2-(3',5'-dijod-4'-oxybenzoyl)-3 cumaron [German]; Ketone, 3,5-diiodo-4-hydroxyphenyl 2-ethyl-3-benzofuranyl; Methanone, (2-ethyl-3-benzofuranyl)(4-hydroxy-3,5-diiodophenyl)-; DSSTox_CID_26134; DSSTox_RID_81367; DSSTox_GSID_46134; Ketone, 2-ethyl-3-benzofuranyl 4-hydroxy-3,5-diiodophenyl; Benziodarona; Benziodaronum; Benzoiodarone; (2-ethylbenzofuran-3-yl)(4-hydroxy-3,5-diiodophenyl)methanone; CAS-68-90-6; Benziodarone [INN:BAN:DCF]; C17H12I2O3; Amplivix (TN); Benziodarone [INN:BAN:DCF:JAN]; Ketone,5-diiodophenyl; Benziodarone (JAN/INN); Methanone,5-diiodophenyl)-; SCHEMBL308541; DTXSID1046134; 2-ethyl-3-benzofuranyl-4-hydroxy-3,5-diiodophenyl ketone; CHEBI:135814; CZCHIEJNWPNBDE-UHFFFAOYSA-N; NSC82133; ZINC3875456; Tox21_111793; BDBM50209206; NSC-82133; AKOS015994715; Tox21_111793_1; API0010003; DB13277; KS-1133; NCGC00160408-02; NCGC00160408-03; CC-24335; LS-87146; FT-0662545; D01833; C-23788; Q4890775; 2-Ethylbenzofuranyl 4-hydroxy-3,5-diiodophenyl ketone; Ketone, 2-ethyl-3-benzofuranyl 4-hydroxy-3,5-diiodophenyl (8CI); (2-Ethyl-1-benzofuran-3-yl)(4-hydroxy-3,5-diiodophenyl)methanone #; Methanone, (2-ethyl-3-benzofuranyl)(4-hydroxy-3,5-diiodophenyl)- (9CI);",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C17H12I2O3",
"molecular_weight": "518.08",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "6237",
"classification": "C",
"indications": "",
"side_effects": "",
"atc_codes": "C01DX54; C01DX04",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01799",
"RC02420",
"RC03041"
]
},
{
"compound_ID": "D0796",
"name": "benzobarbital",
"synonyms": "Benzobarbital; 744-80-9; Benzonal; Benzoylluminal; Benzoyluminal; Benzoylphenobarbital; Benzonalum; Benzobarbital [INN]; Benzobarbitalum [INN-Latin]; 1-Benzoyl-5-ethyl-5-phenylbarbituric acid; 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-benzoyl-5-ethyl-5-phenyl-; C19H16N2O4; BRN 0627140; BARBITURIC ACID, 1-BENZOYL-5-ETHYL-5-PHENYL-; 1-Benzoyl-5-ethyl-5-phenyl-2,4,6-trioxohexahydropyrimidine; NCGC00160414-01; 5-Ethyl-1-benzoyl-5-phenylbarbituric acid; J-504234; Benzobarbitalum; 1-benzoyl-5-ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione; DSSTox_CID_26138; DSSTox_RID_81371; DSSTox_GSID_46138; Oprea1_179037; 5-24-09-00293 (Beilstein Handbook Reference); SCHEMBL2109448; CHEMBL1338506; DTXSID1046138; CTK6D0026; 1-benzoyl-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione; Benzobarbital:1-Benzoyl-5-ethyl-5-phenyl barbitoric acid; QMOWPJIFTHVQMB-UHFFFAOYSA-N; Tox21_111797; STL301913; AKOS015896461; API0015816; MCULE-6634440329; VA10384; AC-19990; AS-14647; CAS-744-80-9; LS-23803; M023; SC-13566; FT-0603508; 744B809; A838147; SR-01000212063; Q4083796; SR-01000212063-1; 1-benzoyl-5-ethyl-5-phenyl-2,4,6(1h,3h,5H)-pyrimidinetrione; 5-ethyl-5-phenyl-1-(phenylcarbonyl)-1,3-diazinane-2,4,6-trione; 1-BENZOYL-5-ETHYL-5-PHENYL-2,4,6(1H,3H,5H)PYRIMIDINETRIONE; 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-benzoyl-5-ethyl-5-phenyl- (9CI); 5-ethyl-5-phenyl-1-(phenylcarbonyl)pyrimidine-2,4,6(1H,3H,5H)-trione;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C19H16N2O4",
"molecular_weight": "336.3",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "12938",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01800",
"RC02421",
"RC03042"
]
},
{
"compound_ID": "D0797",
"name": "benzoic acid, 2-[(4-chloro-3-methylphenyl)amino]-",
"synonyms": "2-[(4-chloro-3-methylphenyl)amino]benzoic acid; NCGC00160431-01; clotame; DSSTox_CID_28614; DSSTox_RID_82884; DSSTox_GSID_48688; DivK1c_000791; SCHEMBL1649780; CHEMBL1996278; DTXSID0048688; CTK4C0648; HMS502H13; KBio1_000791; NINDS_000791; ZINC1842659; Tox21_113076; STK688369; AKOS005601004; MCULE-7161286016; IDI1_000791; LS-20482; ST093989; CAS-898128-45-5; Benzoic acid,2-[(3-chloro-2-methylphenyl)amino]-; 898128-45-5;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C14H12ClNO2",
"molecular_weight": "261.7",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "5507",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01801",
"RC02422",
"RC03043"
]
},
{
"compound_ID": "D0798",
"name": "benzyldimethyltetradecylammonium chloride dihydrate",
"synonyms": "Benzyldimethyltetradecylammonium chloride dihydrate; 147228-81-7; DSSTox_CID_26606; DSSTox_RID_81761; DSSTox_GSID_46606; N-Benzyl-N,N-dimethyltetradecan-1-aminium chloride dihydrate; CAS-147228-81-7; NCGC00166405-01; C23H46ClNO2; CHEMBL2361574; DTXSID4046606; CTK8E5647; Tox21_112417; Benzenemethanaminium, N,N-dimethyl-N-tetradecyl-, chloride, dihydrate; AKOS015889539; Tox21_112417_1; NCGC00187943-02; AS-19605; RT-021552; ST2413569; Y1334; benzyldimethyltetradecyl ammonium chloride dihydrate; J-008333; Benzyldimethyltetradecylammonium chloride dihydrate, 98%; Benzenemethanaminium, N,N-dimethyl-N-tetradecyl-, chloride, hydrate (1:1:2);",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C23H46ClNO2",
"molecular_weight": "404.1",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "177843",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01802",
"RC02423",
"RC03044"
]
},
{
"compound_ID": "D0799",
"name": "benzyldodecyldimethylammonium bromide",
"synonyms": "Benzalkonium bromide; 7281-04-1; Benzyldodecyldimethylammonium bromide; Benzododecinium bromide; Sterinol; Benzyldimethyldodecylammonium bromide; Bacfor BL; Lauralkonium bromide; Sinnoquat BL 80; N-Benzyl-N,N-dimethyldodecan-1-aminium bromide; Benzenemethanaminium, N-dodecyl-N,N-dimethyl-, bromide; Sinnoquat BL 95; Ammonyl BR 1244; Benzododecinium bromatum; Caswell No. 416B; 8043-47-8; UNII-IRY12B2TQ6; Dodecyl dimethyl benzyl ammonium bromide; IRY12B2TQ6; N-Dodecyl-N,N-dimethylbenzenemethanaminium bromide; EINECS 230-698-4; Dimethyl laurylbenzene ammonium bromide; EPA Pesticide Chemical Code 069123; Ammonium, benzyldodecyldimethyl-, bromide; Bromek dwumetylolaurylobenzyloamoniowy [Polish]; DSSTox_CID_28624; DSSTox_RID_82894; DSSTox_GSID_48698; Q-200699; Benzenemethanaminium, N-dodecyl-N,N-dimethyl-, bromide (1:1); CAS-7281-04-1; NCGC00164245-02; Dimethyl benzyl lauryl ammoni; SCHEMBL119589; CHEMBL2355417; DTXSID4048698; CTK3F0668; BenzyldodecyldimethylammoniumBromide; KS-00000XC8; Tox21_113091; benzyl-dodecyldimethylammonium bromide; Bromek dwumetylolaurylobenzyloamoniowy; MFCD00011768; AKOS015891185; Tox21_113091_1; NCGC00164245-03; AK113027; I017; LS-16828; SC-81486; AX8105470; DB-056433; B3748; FT-0733931; N-Benzyl-N,N-dimethyldodecan-1-amonium bromide; Q4890794; UNII-151T1GQ42D component KHSLHYAUZSPBIU-UHFFFAOYSA-M;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C21H38BrN",
"molecular_weight": "384.4",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "23705",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01803",
"RC02424",
"RC03045"
]
},
{
"compound_ID": "D0800",
"name": "benzylhydrazine dihydrochloride",
"synonyms": "Benzylhydrazine dihydrochloride; 20570-96-1; Benzylhydrazine.2HCl; Benzyl-hydrazine dihydrochloride; 1-benzylhydrazine dihydrochloride; Hydrazine, (phenylmethyl)-, dihydrochloride; Hydrazine, benzyl-, dihydrochloride; AI3-52520; EINECS 243-887-1; MFCD00012921; (phenylmethyl)hydrazine dihydrochloride; Benzylhydrazine dihydrochloride, 97%; Benzyl-hydrazine hydrochloride; benzylhydrazinedihydrochloride; BENZYL HYDRAZINE di HCl; Benzylhydrazine DiHCl; PhCH2NHNH2.2HCl; DSSTox_CID_157; ACMC-1CKY0; benzylhydrazine di-hcl salt; EC 243-887-1; DSSTox_RID_75409; DSSTox_GSID_20157; SCHEMBL55982; benzylhydrazine dihydrochioride; benzylhydrazine-dihydrochloride; KSC497E1T; benzyl hydrazine dihydrochloride; CHEMBL3188190; DTXSID0020157; CTK3J7219; MSJHOJKVMMEMNX-UHFFFAOYSA-N; ACN-S003741; ACT03241; KS-000002DE; (phenylmethyl)diazane dihydrochloride; Tox21_200489; ANW-24142; MFCD01722685; AKOS015845278; AKOS016015673; AC-1819; CM14002; CS-W008735; EBD2220606; LS-7218; MCULE-5277030465; RTR-009611; TRA0051962; NCGC00258043-01; AS-11547; BP-11980; BR-72938; SC-13294; SY004764; AB0010296; AB1000209; CAS-20570-96-1; DB-000269; TR-009611; AM20060322; B3471; FT-0622845; FT-0622846; ST24030163; M-2327; A814705; Hydrazine, (phenylmethyl)-, hydrochloride (1:2); W-107608;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C7H12Cl2N2",
"molecular_weight": "195.09",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "146540",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01804",
"RC02425",
"RC03046"
]
},
{
"compound_ID": "D0801",
"name": "berberine chloride",
"synonyms": "berberine chloride; Berberine hydrochloride; 633-65-8; Natural Yellow 18; Benzodioxide; Berberine HCl; Berberinium chloride; Berberine (chloride); UNII-UOT4O1BYV8; Berberine chloride [JAN]; Berberin hydrochloride; EINECS 211-195-9; UOT4O1BYV8; NSC 163088; NSC-163088; Berberine chloride form; AI3-61834; MLS002702530; CHEBI:31271; NSC163088; NSC-646666; AK323614; DSSTox_CID_4602; 9,10-dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium chloride; Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10-dimethoxy-, chloride; DSSTox_RID_77465; DSSTox_GSID_24602; Q-100261; Q-100731; Berberinium chloride hydrate; Berbinium, 7,8,13,13a-tetradehydro-9,10-dimethoxy-2,3-(methylenedioxy)-, chloride; CHEMBL12089; 5,6-Dihydro-9,10-dimethoxybenzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium chloride hydrate; GNF-PF-4545; SMR001233240; NSC646666; SR-01000711827; NCGC00016526-02; NCGC00016526-07; CAS-633-65-8; Berberine chloride, primary pharmaceutical reference standard; C20H18NO4.Cl; CCRIS 8656; Prestwick_91; Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10-dimethoxy-, chloride (1:1); Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium, 5,6-dihydro-9,10-dimethoxy-, chloride (1:1); Barberry Root Extract; NSC 646666; dimethoxy[?] chloride; Berberine-Hydrochloride; 5,6-Dihydro-9,10-dimethoxybenzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium chloride; Berberine chloride (TN); 9,10-dimethoxy-5,6-dihydro-2H-1,3-dioxolano[4,5-g]isoquinolino[3,2-a]isoquinol ine, chloride; Berberine Hydrochloride,(S); MLS002153890; SCHEMBL153906; SPECTRUM1500811; Berberine Hydrochloride Hydrate; DTXSID8024602; HMS500N07; KS-00000JKS; CHEBI: 16118; VKJGBAJNNALVAV-UHFFFAOYSA-M; HMS1569F14; HMS1921I18; HMS2096F14; HMS2210A06; HMS2235H16; HMS3336C05; HMS3373L14; HMS3655F20; Pharmakon1600-01500811; Tox21_110474; Tox21_200348; AC-118; CB0176; CCG-39622; MFCD00011939; NSC757795; s2271; SBB057562; AKOS007930622; Tox21_110474_1; API0001672; CS-3214; KS-5294; LS-1524; MCULE-7356741555; NSC-757795; NCGC00091896-01; NCGC00094858-01; NCGC00094858-02; NCGC00257902-01; HY-18258; SC-18366; CAS: 638-65-8; AB1009372; B0450; FT-0622874; N1699; ST50308453; SW196403-2; C12679; C-58382; Berberine chloride hydrate, technical, >=90% (AT); SR-01000711827-4; SR-01000711827-6; BERBERINE CHLORIDE (BERBARINE(2086-73-1)); Z2768724441; Berberine chloride, British Pharmacopoeia (BP) Reference Standard; Berberine chloride, European Pharmacopoeia (EP) Reference Standard; Benzo[g]-1,6-a]quinolizinium, 5,6-dihydro-9,10-dimethoxy-, chloride; Berberine chloride, United States Pharmacopeia (USP) Reference Standard; Berberine Chloride, Pharmaceutical Secondary Standard; Certified Reference Material; Berbinium,8,13,13a-tetradehydro-9.10-dimethoxy-2,3-(methylene dioxy)-, chloride; 16,17-dimethoxy-5,7-dioxa-13lambda5-azapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{15,20}]henicosa-1(21),2(10),3,8,13,15(20),16,18-octaen-13-ylium chloride;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C20H18ClNO4",
"molecular_weight": "371.8",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "12456",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01805",
"RC02426",
"RC03047"
]
},
{
"compound_ID": "D0802",
"name": "betamethasone dipropionate",
"synonyms": "BETAMETHASONE DIPROPIONATE; Diprosone; Diprolene; Diprolene AF; 5593-20-4; Diproderm; Maxivate; Alphatrex; Diprosis; Psorion; Betamethasone 17,21-dipropionate; Rinderon DP; Betamethasone-17,21-dipropionate; Sch 11460; Sch-11460; UNII-826Y60901U; beta-Methasone 17,21-dipropionate; EINECS 227-005-2; S-3440; BRN 3638108; CHEBI:31276; CIWBQSYVNNPZIQ-XYWKZLDCSA-N; S 3440; 826Y60901U; 9-Fluoro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 17,21-dipropionate; 9-Fluoro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 17,21-di(propionate); C28H37FO7; Beloderm; Sernivo; (11-beta,16-beta)-9-Chloro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione; 9-fluoro-11beta-hydroxy-16beta-methyl-3,20-dioxopregna-1,4-diene-17,21-diyl dipropanoate; (11beta,16beta)-9-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-diene-17,21-diyl dipropanoate; [2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate; 2-((2S,10S,11S,13S,15S,17S,1R,14R)-1-fluoro-17-hydroxy-2,13,15-trimethyl-5-oxo -14-propanoyloxytetracyclo[8.7.0.0<2,7>.0<11,15>]heptadeca-3,6-dien-14-yl)-2-o xoethyl propanoate; 9-Fluoro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione-17,21-dipropionate; Pregna-1,4-diene-3,20-dione, 9-fluoro-11-beta,17,21-trihydroxy-16-beta-methyl-, 17,21-dipropionate; Pregna-1,4-diene-3,20-dione, 9-fluoro-11-hydroxy-16-methyl-17,21-bis(1-oxopropoxy)-, (11beta,16beta); betamethasone propionate; Betamethasone Dipropionate (Diprolene); Diprolene (TN); NCGC00159360-02; NCGC00159443-02; Pregna-1,4-diene-3,20-dione, 9-fluoro-11-hydroxy-16-methyl-17,21-bis(1-oxopropoxy)-, (11.beta.,16.beta.)-; Sernivo (TN); Rinderon-DP (TN); en-17-yl propionate; betamethasone dipropionat; Betamethasone dipropionate [USAN:BAN:JAN]; Betamethasone dipropionate [USAN:USP:JAN]; DSSTox_CID_2672; BETAMETHASONE DIPROP; SCHEMBL7519; DSSTox_RID_76683; DSSTox_GSID_22672; CHEMBL1200384; DTXSID2022672; component of Betasone (Salt/Mix); component of Alphatrex (Salt/Mix); ZINC4212137; Tox21_113343; BDBM50421892; Betamethasone-Dipropionate(Diprolene); s1688; AKOS015969733; Betamethasone dipropionate (JP17/USP); CS-7549; EBD2157850; KS-5303; NCGC00159443-01; CC-24614; HY-13571; ST024761; CAS-5593-20-4; AB2000220; LS-118474; B3166; D01637; AB01274713-01; AB01274713_02; C-22966; Q4897349; BRD-K58148589-001-03-6; Diprospan;Diprolene;Diprosone;Diprolene AF;Diprolene; (11.beta.,16.beta.)-9-Fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione 17,21-dipropionate; (8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-(2-(propionyloxy)acetyl)-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthr; 9-Fluoro-11.beta.,17,21-trihydroxy-16.beta.-methylpregna-1,4-diene-3,20-dione 17,21-dipropionate; 9-Fluoro-11.beta.-hydroxy-16.beta.-methyl-3,20-dioxo-17-(propionyloxy)pregna-1,4-dien-21-yl propionate #; 9alpha-Fluoro-11beta,17alpha,21-trihydroxy-16beta-methyl-1,4-pregnadiene-3,20-dione 17,21-Dipropionate; 9alpha-fluoro-11beta,17alpha,21-trihydroxy-16beta-methyl-3,20-dioxopregna-1,4-diene- 17,21-diyl dipropionate; Pregna-1,4-diene-3,20-dione, 9-fluoro-11-.beta.,17,21-trihydroxy-16-.beta.-methyl-,17,21-dipropionate; Pregna-1,4-diene-3,20-dione, 9-fluoro-11-beta,17,21-trihydroxy-16-beta-methyl-,17,21-dipropionate;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C28H37FO7",
"molecular_weight": "504.6",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "21800",
"classification": "D; S; A; H; R; C",
"indications": "",
"side_effects": "",
"atc_codes": "R03BA04; D07BC01; C05AA05; S03BA03; S01BA06; S01CA05; S01CB04; D07CC01; S01BB04; S03CA06; S02BA07; H02AB01; A07EA04; R01AD06; D07AC01; D07XC01",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01806",
"RC02427",
"RC03048"
]
},
{
"compound_ID": "D0803",
"name": "bexarotene",
"synonyms": "Bexarotene; 153559-49-0; Targretin; Targrexin; Targretyn; LGD 1069; LGD1069; LG100069; LGD-1069; UNII-A61RXM4375; LG 1069; 166175-31-1; HSDB 7453; 4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid; p-(1-(5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthyl)vinyl)benzoic acid; CHEMBL1023; 4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]benzoic acid; LG 100069; LG-100069; Targret; CHEBI:50859; A61RXM4375; 4-(1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)vinyl)benzoic acid; 4-(1-(5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)ethenyl)benzoic acid; NCGC00181016-01; Ro 26-4455; AK-64115; SR 11247; 4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)vinyl]benzoic acid; 4-[1-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)ethenyl]benzoic acid; DSSTox_CID_20619; DSSTox_RID_79514; DSSTox_GSID_40619; Bexarotene [USAN]; bexaroteno; bexarotenum; 4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-vinyl]-benzoic acid; 4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-vinyl]benzoic acid; Benzoic acid, 4-(1-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)ethenyl)-; Targretin (TN); CAS-153559-49-0; SR-05000001480; Bexaroten; Bexarotene [USAN:INN:BAN]; LG 69; LG1069; 4k6i; Bexarotene oral(targretin); SCHEMBL9025; BIDD:PXR0021; MLS006010146; Bexarotene (JAN/USAN/INN); GTPL2807; Bexarotene, >=98% (HPLC); DTXSID1040619; CTK8E7385; AOB1247; QCR-117; NAVMQTYZDKMPEU-UHFFFAOYSA-N; HMS2089L14; HMS3655D19; HMS3747C21; 4-[1-(1,1,4,4,7-pentamethyltetralin-6-yl)vinyl]benzoic acid; ACT03911; BCP04099; KS-00000NW6; ZINC1539579; Tox21_112666; Tox21_302407; BDBM50032675; BG0619; DL-298; MFCD00932428; NSC747528; s2098; AKOS015902814; Tox21_112666_1; BCP9000396; CCG-221823; CS-0626; DB00307; MCULE-3783114634; NSC-747528; RTX-011348; SB17341; SS-4628; 4-[1-3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-2-naphthaleneyl)vinyl]benzene carboxylic acid; NCGC00181016-02; NCGC00181016-03; NCGC00181016-04; NCGC00181016-08; NCGC00255426-01; AC-24569; AT-22934; HY-14171; LS-38306; SC-19638; SC-50515; SMR001614557; BCP0726000106; AB0009892; AB2000502; FT-0657110; FT-0702645; ST24046138; SW203810-3; D03106; W-5228; 42161-EP2295426A1; 42161-EP2295427A1; 42161-EP2298768A1; 42161-EP2308861A1; 42161-EP2311808A1; 42161-EP2311829A1; 42161-EP2311840A1; AB01275475-01; AB01275475_02; 559B490; A809441; Q418192; J-009026; J-519847; SR-05000001480-1; SR-05000001480-2; BRD-K92441787-001-02-5; 4-[1-(3,5,5,8,8-pentamethyltetralin-2-yl)ethenyl]benzoic acid; 4-[1-(5,6,7,8-TETRAHYDRO-3,5,5,8,8-PENTAMETHYL-2-N; 4-[1-(3,5,5,8,8-Pentamethyl-2-5,8-dihydronaphthyl)vinyl]benzoic acid; 4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-2-naphthyl)ethenyl]benzoic acid; 4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-vinyl]benzoic acid; 4-[1-(5,6,7,8,-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphtalenyl)ethenyl]benzoic acid; 4-[1-(5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)-1-ethenyl]benzoic acid; Benzoic acid,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)ethenyl]-;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C24H28O2",
"molecular_weight": "348.5",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "Urinary elimination of bexarotene and its known metabolites is a minor excretory pathway (<1% of administered dose).",
"protein_binding": ">99%",
"half_life": "7 hours",
"absorption": "",
"cid": "82146",
"classification": "L",
"indications": "",
"side_effects": "",
"atc_codes": "L01XX25",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01807",
"RC02428",
"RC03049"
]
},
{
"compound_ID": "D0804",
"name": "bis(tributyltin)oxide",
"synonyms": "Tributyltin oxide; 56-35-9; BIS(TRIBUTYLTIN) OXIDE; TBTO; Hexabutyldistannoxane; Distannoxane, hexabutyl-; Bis(tributyltin)oxide; Lastanox Q; Bis(tri-n-butyltin) oxide; Butinox; Biomet; Mykolastanox F; Biomet 66; Stannicide A; Bis(tri-n-butyltin)oxide; Lastanox F; Lastanox T; Biomet TBTO; BioMeT SRM; Bis(tributylstannyl)oxide; Lastanox T 20; Hexabutyl distannoxane; Tin, oxybis(tributyl-; Vikol AF-25; Vikol LO-25; Oxybis(tributylstannane); oxybis(tributyl tin); Oxyde de tributyletain; C-Sn-9; bis(tributyl tin)oxide; Bis(tributyloxide) of tin; Bis-(tri-n-butylcin)oxid; Oxybis(tributyltin); Hexabutyldistannioxan; Bis(tri-N-butylzinn)-oxyd; Bis(tributylstannium) oxide; OTBE [French]; OTBE; Tin, bis(tributyl)-, oxide; Kyslicnik tri-N-butylcinicity; Caswell No. 101; ENT 24,979; Stannane, tri-N-butyl-, oxide; L.S. 3394; NSC 22332; Oxybis[tributyltin]; C24H54OSn2; Hexabutyldistannioxan [Czech]; UNII-3353Q84MKM; CCRIS 3697; HSDB 6505; Bis-(tri-n-butylcin)oxid [Czech]; tributyl(tributylstannyloxy)stannane; Bis(tri-n-butylzinn)-oxyd [German]; EINECS 200-268-0; Kyslicnik tri-n-butylcinicity [Czech]; EPA Pesticide Chemical Code 083001; 6-Oxa-5,7-distannaundecane, 5,5,7,7-tetrabutyl-; ZK 21995; Distannoxane, 1,1,1,3,3,3-hexabutyl-; AI3-24979; Stannane, oxide; APQHKWPGGHMYKJ-UHFFFAOYSA-N; 3353Q84MKM; MFCD00009418; Bis(tributyltin oxide); Oxybis[tributylstannane]; Bis(tri-n-butyltin)oxide, technical grade; 6-Oxa-5, 5,5,7,7-tetrabutyl-; HBD; BTBTO; WLN: 4-SN-4&4&O-SN-4&4&4; Tributyltin oxide (TBTO); tributyltinoxide; tributyltin hydrate; Tributyl tin oxide; hexabutyidistannoxane; TBOT; Tributyltin(IV) oxide; (nBu3Sn)2O; DSSTox_CID_166; (Bu3Sn)2O; bis(tributyl stannyl)oxide; EC 200-268-0; bis (tri-n-butyltin) oxide; bis(tri-n-butylstannyl)oxide; DSSTox_RID_75413; DSSTox_GSID_20166; SCHEMBL19183; Keycide X-10 (Salt/Mix); bis(tri-n-butylstannyl) oxide; Bis[tri-n-butyltin(IV)]oxide; Bis(tributyltin) oxide, 96%; TBTO (Bis(tributyltin) oxide); DTXSID9020166; APQHKWPGGHMYKJ-UHFFFAOYSA-; CHEBI:81543; KS-00000WHS; NSC22332; NSC28132; Tox21_203001; NSC-22332; NSC-28132; 1,1,1,3,3,3-Hexabutyldistannoxane; AKOS015909709; ZINC169743007; LS-1374; CAS-56-35-9; 1,1,1,3,3,3-Hexabutyldistannoxane #; Bis(tri-n-butyltin)oxide,technical grade; NCGC00163942-01; NCGC00163942-02; NCGC00260546-01; BP-20397; TBTO, PESTANAL(R), analytical standard; FT-0623098; V2250; C18149; A831016; Q384794;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C24H54OSn2",
"molecular_weight": "596.1",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "16682746",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01808",
"RC02429",
"RC03050"
]
},
{
"compound_ID": "D0805",
"name": "bisacodyl",
"synonyms": "bisacodyl; 603-50-9; Dulcolax; Brocalax; Bicol; Durolax; Fenilaxan; Sanvacual; Dulcolan; Endokolat; Hillcolax; Stadalax; Theralax; Eulaxan; Godalax; Ivilax; Laxadin; Laxans; Laxine; Laxorex; Neolax; Nigalax; Pyrilax; Telemin; Ulcolax; Zetrax; Sk-bisacodyl; Laxanin N; Deficol; LACO; LA96a; Phenol, 4,4'-(2-pyridinylmethylene)bis-, diacetate (ester); HalfLytely; Bisacodylum [INN-Latin]; Bisacodilo [INN-Spanish]; (Pyridin-2-ylmethylene)bis(4,1-phenylene) diacetate; Bis(p-acetoxyphenyl)-2-pyridylmethane; Di-(p-acetoxyphenyl)-2-pyridylmethane; Di-(4-acetoxyphenyl)-2-pyridylmethane; MLS000069729; UNII-10X0709Y6I; 2-(4,4'-Diacetoxydiphenylmethyl)pyridine; C22H19NO4; HSDB 3016; (4,4'-Diacetoxydiphenyl)(2-pyridyl)methane; 4,4'-(2-Pyridylmethylene)diphenol diacetate; EINECS 210-044-4; BRN 0323727; 4,4'-(2-Pyridylmethylene)diphenol diacetate (ester); 4,4'-Diacetoxydiphenylpyridyl-2-methane; SMR000058226; MLS002701749; Phenol, 4,4'-(2-pyridylmethylene)di-, diacetate (ester); [4-[(4-acetyloxyphenyl)-pyridin-2-ylmethyl]phenyl] acetate; Phenol, 4,4'-(2-pyridinylmethylene)bis-, 1,1'-diacetate; KHOITXIGCFIULA-UHFFFAOYSA-N; NSC614826; 10X0709Y6I; NCGC00016522-05; NCGC00016522-10; AK116442; CAS-603-50-9; DSSTox_CID_2681; DSSTox_RID_76689; DSSTox_GSID_22681; Q-200726; Q-200727; Bisacodilo; Bisacodylum; (pyridin-2-ylmethylene)di-4,1-phenylene diacetate; SR-01000000233; 4-[(4-acetyloxyphenyl)-2-pyridylmethyl]phenyl acetate; 4,4'-(pyridin-2-ylmethylene)bis(4,1-phenylene) diacetate; Horton; CCRIS 8864; Bisacodyl [USP:INN:BAN:JAN]; Bisacodyl [USAN:INN:BAN:JAN]; Bisacodyl,(S); Dulcolax (TN); Prestwick_780; Feen-a-Mint Tablets; Spectrum_000086; HalfLytely (Salt/Mix); Opera_ID_884; Prestwick0_000419; Prestwick1_000419; Prestwick2_000419; Prestwick3_000419; Spectrum2_000149; Spectrum3_000318; Spectrum4_000256; Spectrum5_000898; 4,4'-(2-pyridylmethylene)bisphenol diacetate; CHEMBL942; Correctol Tablets, Caplets; NCIChal_000004; NCIMech_000456; cid_2391; REGID_for_CID_2391; SCHEMBL21044; BSPBio_000378; BSPBio_001916; KBioGR_000692; KBioSS_000506; DivK1c_000347; SPECTRUM1500147; SPBio_000258; SPBio_002317; Bisacodyl (JP17/USP/INN); BPBio1_000416; CHEBI:3125; DTXSID1022681; BDBM61400; CTK8F8189; HMS501B09; KBio1_000347; KBio2_000506; KBio2_003074; KBio2_005642; KBio3_001416; EBD8044; NINDS_000347; HMS1569C20; HMS1920G21; HMS2090K15; HMS2091O03; HMS2096C20; HMS2235I11; HMS3373L17; HMS3652E04; HMS3713C20; Pharmakon1600-01500147; BCP18567; HY-B0557; KS-00000FS0; ZINC3830321; Tox21_110472; Tox21_200338; CCG-35661; CCG-36442; MFCD00038039; NSC755914; s4047; SBB057015; STK293202; AKOS001599884; Tox21_110472_1; API0001726; CS-2667; DB09020; LS-2218; MCULE-8607347748; NSC-614826; NSC-755914; IDI1_000347; 4,4'-Diacetoxydiphenylpyrid-2-ylmethane; Bisacodyl, active ingredient of Viraplex; NCGC00016522-01; NCGC00016522-02; NCGC00016522-03; NCGC00016522-04; NCGC00016522-06; NCGC00016522-07; NCGC00016522-08; NCGC00016522-09; NCGC00016522-11; NCGC00016522-12; NCGC00023260-03; NCGC00023260-04; NCGC00023260-05; NCGC00023260-06; NCGC00257892-01; AC-24284; AS-15820; NCI60_004954; SC-18411; ST024745; SBI-0051297.P003; 4,4-(2-Pyridylmethylene)diphenol diacetate; AX8117347; AB00051928; B1898; B5066; FT-0603486; ST24026365; SW196918-3; A14914; D00245; AB00051928-17; AB00051928_18; AB00051928_19; Bisacodyl, analytical standard, for drug analysis; A832704; Phenol, 4,4'-(2-pyridylmethylene)di-, diacetate; Q417874; SR-01000000233-2; SR-01000000233-3; (pyridin-2-ylmethanediyl)dibenzene-4,1-diyl diacetate; BRD-K39987650-001-05-0; BRD-K39987650-001-15-9; Phenol, 4,4'-(2-pyridinylmethylene)bis-, diacetate; Phenol,4'-(2-pyridinylmethylene)bis-, diacetate (ester); 4-[[4-(acetyloxy)phenyl](2-pyridyl)methyl]phenyl acetate; Bisacodyl, European Pharmacopoeia (EP) Reference Standard; [4-[(4-acetyloxyphenyl)-pyridin-2-yl-methyl]phenyl] ethanoate; 4-[[4-(Acetyloxy)phenyl](2-pyridinyl)methyl]phenyl acetate #; Bisacodyl, United States Pharmacopeia (USP) Reference Standard; acetic acid [4-[(4-acetyloxyphenyl)-(2-pyridinyl)methyl]phenyl] ester; Bisacodyl for peak identification, European Pharmacopoeia (EP) Reference Standard; Bisacodyl for system suitability, European Pharmacopoeia (EP) Reference Standard; Dulcolax; 4,4'-(2-Pyridylmethylene)bisphenol diacetate; [4-[(4-Acetyloxyphenyl)-pyridin-2-ylmethyl]phenyl] acetate;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C22H19NO4",
"molecular_weight": "361.4",
"state": "solid",
"clearance": "primarily in the feces, systemically absorbed drug is excreted in the urine.",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "16 hours",
"absorption": "0.15",
"cid": "2391",
"classification": "A",
"indications": "",
"side_effects": "",
"atc_codes": "A06AG02; A06AB52; A06AB02",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T002",
"T408"
],
"function": [
"F0108",
"F0201",
"F0303"
],
"references": [
"RC01809",
"RC02430",
"RC03051",
"RC04032",
"RC04156",
"RC04280",
"RC04404",
"RC04528"
]
},
{
"compound_ID": "D0806",
"name": "bisphenol a glycidyl methacrylate",
"synonyms": "Bis-gma; 1565-94-2; Silux; Panavia opaque; Bisphenol A glycidylmethacrylate; Bisphenol A Glycidyl Methacrylate; BISPHENOL A-GLYCIDYL METHACRYLATE; Nupol 1629; 2,2-Bis[4-(2-hydroxy-3-methacryloxypropoxy)phenyl]propane; Nupol 46-4005; Bisphenol A glycerolate dimethacrylate; Bisphenol(a)glycidylmethacrylate; EINECS 216-367-7; Bisphenol A-diglycidyl-dimethyl acrylate; BRN 2316426; CHEBI:34580; 2-Propenoic acid, 2-methyl-, (1-methylethylidene)bis(4,1-phenyleneoxy(2-hydroxy-3,1-propanediyl)) ester; Adaptic; Retroplast; NuvaSeal; Bis-GMA Polymer; Concise Enamel Bond; Poly(Bis-GMA); Epoxylite 9075; isopropylidenediphenyl bisoxyhydroxypropyl methacrylate; Enamel Bond, Concise; (1-Methylethylidene)bis(4,1-phenyleneoxy(2-hydroxy-3,1-propanediyl)) bismethacrylate; (1-methylethylidene)bis[4,1-phenyleneoxy(2-hydroxy-3,1-propanediyl)] bismethacrylate; 2-Propenoic acid, 2-methyl-, (1-methylethylidene)bis[4,1-phenyleneoxy(2-hydroxy-3,1-propanediyl)] ester; SMR000857281; CCRIS 8222; Bis(Phenol A-Glycidyl Methacrylate), Homopolymer; 2-Propenoic acid, 2-methyl-, 1,1'-((1-methylethylidene)bis(4,1-phenyleneoxy(2-hydroxy-3,1-propanediyl))) ester; 2-Propenoic acid, 2-methyl-, 1,1'-[(1-methylethylidene)bis[4,1-phenyleneoxy(2-hydroxy-3,1-propanediyl)]] ester; DSSTox_CID_24841; DSSTox_RID_80521; DSSTox_GSID_44841; SCHEMBL15349; MLS001333623; MLS001333624; CHEMBL1600257; DTXSID7044841; AMFGWXWBFGVCKG-UHFFFAOYSA-N; HMS2232M17; Bisphenol A diglycidyl methacrylate; Tox21_301683; AKOS015903791; ACN-051743; ACM24447721; NCGC00247011-01; NCGC00256180-01; [2-hydroxy-3-[4-[2-[4-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]phenyl]propan-2-yl]phenoxy]propyl] 2-methylprop-2-enoate; 12704-74-4; 2-Propenoic acid, 2-methyl-, (1-methylethylidene)bis(4,1-phenyleneoxy(2-hydroxy-3,1-propanediyl)) ester, homopolymer; 30757-19-8; 83382-93-8; CAS-1565-94-2; BISPHENOL A DIGLYCIDYL DIMETHACRYLATE; LS-123696; C14511; Q27116161; Bisphenol A glycerolate dimethacrylate, glycerol/phenol 1;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C29H36O8",
"molecular_weight": "512.6",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "15284",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01811",
"RC02432",
"RC03053"
]
},
{
"compound_ID": "D0807",
"name": "bisphenol af",
"synonyms": "Bisphenol AF; 1478-61-1; 4,4'-(Hexafluoroisopropylidene)diphenol; 2,2-Bis(4-hydroxyphenyl)hexafluoropropane; Hexafluorobisphenol a; 4,4'-(perfluoropropane-2,2-diyl)diphenol; Biphenol AF; Hexafluorodiphenylolpropane; Hexafluoroisopropylidenebis(4-hydroxybenzene); Hexafluoroacetone bisphenol A; 2,2-Bis(4-hydroxyphenyl)perfluoropropane; 2,2-Bis-(p-hydroxyphenyl)-hexafluoropropane; 4,4'-(1,1,1,3,3,3-Hexafluoropropane-2,2-diyl)diphenol; UNII-OH7IX8A37J; NSC 152522; Phenol, 4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis-; EINECS 216-036-7; Phenol, 4,4'-(bis(trifluoromethyl)methylene)di-; OH7IX8A37J; Phenol, 4,4'-(trifluoro-1-(trifluoromethyl)ethylidene)di-; CHEBI:72754; 4,4'-(2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene)bisphenol; ZFVMWEVVKGLCIJ-UHFFFAOYSA-N; 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol; Phenol, 4,4'-(2,2,2-trifluoro-1-(trifluoromethyl)ethylidene)bis-; MFCD00000439; 4,4'-(Trifluoro-1-(trifluoromethyl)ethylidene)diphenol; 4,4-(Hexafluoroisopropylidene)Diphenol; AK163612; 2,2-BIS(4-HYDROXYPHENYL)-1,1,1,3,3,3-HEXAFLUOROPROPANE; 2,2-Bis-(4-hydroxyphenyl)hexafluoropropane; 4-[2,2,2-trifluoro-1-(4-hydroxyphenyl)-1-(trifluoromethyl)ethyl]phenol; DSSTox_CID_17717; DSSTox_RID_79364; DSSTox_GSID_37717; Q-200407; 4,4'-(Hexafluoroisopropylidene)diphenol (Bisphenol AF); 4,4'-(2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene)diphenol; Bisphenol A Hexafluoride; CAS-1478-61-1; BisphenolAF; 4,4'-[2,2,2-Trifluoro-1-(Trifluoromethyl)Ethylidene]Bis-Pheno; HSDB 8090; C15H10F6O2; PubChem16130; ACMC-20aj4g; TimTec1_001644; SCHEMBL21027; KSC525K9J; BIDD:ER0048; CHEMBL1900054; DTXSID7037717; CTK4C5594; ZINC43843; HMS1538K16; Bisphenol??AF, analytical standard; ACN-S002437; ZX-AP005112; Tox21_201467; Tox21_303641; CH-582; CH0049; NSC152522; PC1229; SBB001375; STK396229; AKOS005433772; 4,4'-(perfluoroisopropylidene)diphenol; LS41260; MCULE-9923151908; NSC-152522; RTR-031333; KS-0000010F; NCGC00164114-01; NCGC00164114-02; NCGC00164114-03; NCGC00164114-04; NCGC00257463-01; NCGC00259018-01; AC-15007; AS-14550; CC-06412; L583; SC-28893; ST020986; SY014750; DB-005805; LS-105177; TR-031333; 2,2-bis (4-hydroxyphenyl) hexafluoropropane; B0945; FT-0609177; ST24042481; hexafluoro-2,2-bis-(4-hydroxyphenyl)-propane; Phenol,4'-(bis(trifluoromethyl)methylene)di-; 4,4'-(Hexafluoroisopropylidene)diphenol, 97%; C-4534; C14350; C-34975; Q9658045; 4,2,2-Trifluoro-1-(trifluoromethyl)ethylidene]bisphenol; Phenol,4'-[trifluoro-1-(trifluoromethyl)ethylidene]di-; 2,2-Bis-(4-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropane; Phenol,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis-; phenol,4,4-(2,2,2-triflouro-1-(trifluromethyl)ethylidene]; Phenol,4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis-; 0CZ;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C15H10F6O2",
"molecular_weight": "336.23",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "73864",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01812",
"RC02433",
"RC03054"
]
},
{
"compound_ID": "D0808",
"name": "bisphenol b",
"synonyms": "2,2-Bis(4-hydroxyphenyl)butane; Bisphenol B; 77-40-7; 4,4'-(Butane-2,2-diyl)diphenol; Phenol, 4,4'-(1-methylpropylidene)bis-; p,p'-sec-Butylidenediphenol; 4,4'-(1-Methylpropylidene)bisphenol; bisphenol-B; UNII-1RC731TJJA; EINECS 201-025-1; CHEMBL371077; 1RC731TJJA; 4,4'-sec-Butylidenediphenol; AI3-17395; 2,2-Bis(p-hydroxyphenyl)butane; CHEBI:34581; HTVITOHKHWFJKO-UHFFFAOYSA-N; 4,4'-Dihydroxy-2,2-diphenylbutane; Bis(4-hydroxyphenyl)methylethylmethane; AK-79051; DSSTox_CID_2442; DSSTox_RID_76592; DSSTox_GSID_22442; W-104317; CAS-77-40-7; HSDB 8086; p,2-diphenylbutane; Bishydroxyphenylbutane; 4,2-butane; ACMC-1BCZZ; 4-[2-(4-hydroxyphenyl)butan-2-yl]phenol; 4-[1-(4-hydroxyphenyl)-1-methyl-propyl]phenol; SCHEMBL68287; Phenol,4'-sec-butylidenedi-; BIDD:ER0203; Bisphenol B, analytical standard; Butane,2-bis(p-hydroxyphenyl)-; DTXSID4022442; 4,4'-butane-2,2-diyldiphenol; Butane,2-bis(4-hydroxyphenyl)-; KS-00000MIS; NSC1775; Phenol, 4,4'-sec-butylidenedi-; 2,2-bis(4-hydroxyphenyl) butane; 2,2-bis-(4-hydroxyphenyl)butane; ZINC394751; 2,2-bis-(4-hydroxyphenyl)-butane; ALBB-014267; NSC 1775; NSC-1775; p,p'-Dihydroxy-2,2-diphenylbutane; ZX-AN012996; 2,2-Bis-(4-hyxroxyphenyl)-butane; Tox21_202222; Tox21_300198; 4,4'-Dihydroxydiphenyl-2,2-butane; ANW-37025; BDBM50410538; Butane, 2,2-bis(p-hydroxyphenyl)-; Butane, 2,2-bis(4-hydroxyphenyl)-; Phenol,4'-(1-methylpropylidene)bis-; AKOS005174329; MCULE-1241841294; NCGC00164226-01; NCGC00164226-02; NCGC00164226-03; NCGC00164226-04; NCGC00254184-01; NCGC00259771-01; AS-13480; CC-06411; I414; SC-76982; AB0013677; AX8064298; DB-019600; LS-104937; ST2417860; TR-024740; B1050; FT-0609176; C14225; M-1697; 2,2-Bis(4-hydroxyphenyl)-n-butan = Bisphenol B; C-14620; Q2904720; H3W;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C16H18O2",
"molecular_weight": "242.31",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "66166",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01813",
"RC02434",
"RC03055"
]
},
{
"compound_ID": "D0809",
"name": "bisphenol e",
"synonyms": "Bisphenol E; 2081-08-5; 4-[1-(4-hydroxyphenyl)ethyl]phenol; 4,4'-Ethylidenebisphenol; 1,1-Bis(4-hydroxyphenyl)ethane; 4,4'-Ethylidenediphenol; Phenol, 4,4'-ethylidenebis-; 4,4'-(ETHANE-1,1-DIYL)DIPHENOL; CHEBI:34029; HCNHNBLSNVSJTJ-UHFFFAOYSA-N; DSSTox_CID_27867; DSSTox_GSID_47891; 4-[(4-hydroxyphenyl)ethyl]phenol; CAS-2081-08-5; Bisphenol AD; ACMC-1CQ2X; C14349; DSSTox_RID_82620; SCHEMBL26946; Bisphenol E, analytical standard; CHEMBL2392656; DTXSID3047891; 4,4'-ethane-1,1-diyldiphenol; CTK4E5188; HCNHNBLSNVSJTJ-UHFFFAOYSA-; ZINC57029; 4,4'-Ethylidenebisphenol, 99%; 1,1-bis(4-hydroxyphenyl) ethane; Tox21_200555; Tox21_304007; ANW-13686; SBB057179; STL371128; AKOS015838553; MCULE-5953236542; NCGC00248698-01; NCGC00258109-01; NCGC00357018-01; AS-59101; TR-009778; E0432; ST50319716; J-514031; Q15726108; H48; InChI=1/C14H14O2/c1-10(11-2-6-13(15)7-3-11)12-4-8-14(16)9-5-12/h2-10,15-16H,1H3;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C14H14O2",
"molecular_weight": "214.26",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "608116",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01814",
"RC02435",
"RC03056"
]
},
{
"compound_ID": "D0810",
"name": "bisphenol z",
"synonyms": "843-55-0; 1,1-Bis(4-hydroxyphenyl)cyclohexane; Bisphenol Z; 4,4'-Cyclohexylidenebisphenol; 4,4'-(cyclohexane-1,1-diyl)diphenol; Antigene W; 4,4'-cyclohexane-1,1-diyldiphenol; Bis-Z; 4-[1-(4-hydroxyphenyl)cyclohexyl]phenol; Phenol, 4,4'-cyclohexylidenebis-; 4,4-cyclohexylidenebisphenol; UNII-64ZF6464QY; SDDLEVPIDBLVHC-UHFFFAOYSA-N; 64ZF6464QY; 1,1'-Bis(4-hydroxyphenyl)cyclohexane; 1,1-bis(4-hydroxyphenyl)-cyclohexane; Phenol,4'-cyclohexylidenebis-; W-104120; Dian C; bisphenol-Z; NSC29881; NSC 29881; NSC 50761; BHOPC; ChemDiv3_000055; ACMC-1BJ32; DSSTox_CID_27939; DSSTox_RID_82691; DSSTox_GSID_47963; Oprea1_530767; SCHEMBL18773; 4,4'-cyclohexylidenediphenol; KSC448I1L; 4,4'-Cyclo-hexylidenebisphenol; CHEMBL1231453; DTXSID4047963; CTK3E8415; Bisphenol??Z, analytical standard; HMS1473C11; HMS3604C18; ZINC225610; ALBB-023204; BCP25361; KS-000011FL; NSC50761; ZX-AN021718; 1,1-Bis(4-Hydroxypheyl)cyclohexane; 1,1-bis(p-hydroxyphenyl)cyclohexane; Tox21_201017; ANW-37762; BBL027852; NSC-29881; NSC-50761; STK831903; ZINC00225610; 4,4'-Cyclohexylidenebisphenol, 98%; 1,1-bis-(4-hydroxyphenyl)cyclohexane; 4-[(4-hydroxyphenyl)cyclohexyl]phenol; AKOS001483227; CCG-103105; DB07485; MCULE-1277868989; RTR-031545; 1,1-bis-(4-hydroxyphenyl)-cyclohexane; IDI1_019373; 1,1-bis-(4-hydroxyphenyl)-cyclo hexane; NCGC00172604-01; NCGC00172604-02; NCGC00172604-03; NCGC00258570-01; AK-93017; AS-13403; AT-14755; CAS-843-55-0; I099; AB0013480; AX8022817; DB-056787; ST2405217; TR-031545; FT-0606064; R1379; ST45024717; AB01332147-02; C-58092; SR-01000389025; SR-01000389025-1; BRD-K26589290-001-01-4; Q27096705; 2~3~,2~4~,2~5~,2~6~-Tetrahydro-2~2~H-[1~1~,2~1~:2~1~,3~1~-terphenyl]-1~4~,3~4~-diol;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C18H20O2",
"molecular_weight": "268.3",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "232446",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01815",
"RC02436",
"RC03057"
]
},
{
"compound_ID": "D0811",
"name": "bithionol",
"synonyms": "bithionol; 97-18-7; Actamer; Bithin; 2,2'-Thiobis(4,6-dichlorophenol); Lorothidol; Bithionol sulfide; Bithionolate; Bidiphen; Bisoxyphen; Bitionol; Lorothiodol; Bitin; Neopellis; Nobacter; Vancide BL; Usaf B-22; Bithional; 2-Hydroxy-3,5-dichlorophenyl sulfide; TKhsd; Bis(2-hydroxy-3,5-dichlorophenyl) sulfide; Bis(3,5-dichloro-2-hydroxyphenyl) sulfide; 2,2'-sulfanediylbis(4,6-dichlorophenol); Bithionolum; Caswell No. 852; Bitionol [INN-Spanish]; XL 7; Bithionolum [INN-Latin]; 2-Hydroxy-3,5-dichlorophenyl sulphide; 2,2'-Dihydroxy-3,3',5,5'-tetrachlorodiphenyl sulfide; Prevenol; CP 3438; D 26; NCI-C60628; UNII-AMT77LS62O; C12H6Cl4O2S; NSC 47129; Phenol, 2,2'-thiobis[4,6-dichloro-; 2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfanylphenol; CCRIS 2043; HSDB 6380; 2,2'-Dihydroxy-3,3',5,5'-tetrachlorodiphenylsulfide; EINECS 202-565-0; EPA Pesticide Chemical Code 064201; Phenol, 2,2'-thiobis(4,6-dichloro-; BRN 2003535; AMT77LS62O; AI3-50518; MLS000028403; CHEBI:3131; XL-7; 2,2'-Thiobis[4,6-dichlorophenol]; NCGC00018163-06; SMR000058374; 2,4-dichloro-6-(3,5-dichloro-2-hydroxy-phenyl)sulfanyl-phenol; DSSTox_CID_1342; DSSTox_RID_76096; DSSTox_GSID_21342; Q-200730; Phenol,2'-thiobis[4,6-dichloro-; WLN: QR BG DG FSR BQ CG EG; 2,3',5,5'-tetrachlorodiphenyl sulfide; CAS-97-18-7; 6-(3,5-dichloro-2-hydroxyphenylthio)-2,4-dichlorophenol; Bithionol [INN:BAN:JAN]; Bithionol [INN:BAN:JAN:NF]; B1T; Bithin (TN); 2,2'-Thio-bis(4,6-dichlorophenol); Spectrum_000088; Bithionol (JAN/INN); Spectrum2_000113; Spectrum3_000319; Spectrum4_000257; Spectrum5_000922; cid_2406; PHENOL, 2,2'-THIOBIS(4,6-DICHLORO)-; Oprea1_473080; REGID_for_CID_2406; SCHEMBL64385; BSPBio_001918; KBioGR_000694; KBioSS_000508; ARONIS27111; DivK1c_000639; SPBio_000126; ACMC-209s88; CHEMBL290106; GTPL2338; Bithionol, >=98% (HPLC); DTXSID9021342; BDBM36880; CTK8B2783; HMS501P21; JFIOVJDNOJYLKP-UHFFFAOYSA-; KBio1_000639; KBio2_000508; KBio2_003076; KBio2_005644; KBio3_001418; NSC9872; JFIOVJDNOJYLKP-UHFFFAOYSA-N; NINDS_000639; KUC106451N; ZINC608213; KS-000048LK; NSC-9872; NSC47129; Tox21_110832; Tox21_200384; Tox21_302919; 6068AF; A1B988; ANW-40854; MFCD00055727; NSC-47129; s4552; SBB071906; STL257451; AKOS015856712; Tox21_110832_1; CS-3874; DB04813; KSC-19-055; LS-2022; MCULE-6591279983; RTR-030210; IDI1_000639; QTL1_000014; NCGC00018163-01; NCGC00018163-02; NCGC00018163-03; NCGC00018163-04; NCGC00018163-05; NCGC00018163-07; NCGC00018163-08; NCGC00018163-09; NCGC00018163-10; NCGC00021272-04; NCGC00021272-05; NCGC00021272-06; NCGC00256573-01; NCGC00257938-01; AK546901; HY-17592; SC-46723; SBI-0051298.P003; TR-030210; FT-0707601; ST45027186; bis (2-hydroxy-3,5-dichlorophenyl)-sulphide; Bithionol, VETRANAL(TM), analytical standard; A14941; C07967; D00802; BIS(2-HYDROXY-3,5-DICHLOROPHENYL)SULFIDE; Q4918862; BRD-K39120595-304-03-9; 2,4-dichloro-6-[(3,5-dichloro-2-hydroxy-phenyl)thio]phenol; 2,4-dichloro-6-[(3,5-dichloro-2-hydroxyphenyl)thio]phenol; 2-[3,5-bis(chloranyl)-2-oxidanyl-phenyl]sulfanyl-4,6-bis(chloranyl)phenol; InChI=1/C12H6Cl4O2S/c13-5-1-7(15)11(17)9(3-5)19-10-4-6(14)2-8(16)12(10)18/h1-4,17-18H;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C12H6Cl4O2S",
"molecular_weight": "356",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "2406",
"classification": "D; P",
"indications": "",
"side_effects": "",
"atc_codes": "D10AB01; P02BX01",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01816",
"RC02437",
"RC03058"
]
},
{
"compound_ID": "D0812",
"name": "bosutinib",
"synonyms": "Bosutinib; 380843-75-4; SKI-606; Bosutinib (SKI-606); SKI 606; SKI606; BOSULIF; 4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methyl-1-piperazinyl)propoxy]-3-quinolinecarbonitrile; 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile; UNII-5018V4AEZ0; 4-((2,4-dichloro-5-methoxyphenyl)amino)-6-methoxy-7-(3-(4-methyl-1-piperazinyl)propoxy)-3-quinolinecarbonitrile; CHEMBL288441; CHEBI:39112; 5018V4AEZ0; SK-606; 1391063-17-4; 4-((2,4-dichloro-5-methoxyphenyl)amino)-6-methoxy-7-(3-(4-methylpiperazin-1-yl)propoxy)quinoline-3-carbonitrile; Q-200745; 4-(2,4-dichloro-5-methoxyphenylamino)-6-methoxy-7-(3-(4-methylpiperazin-1-yl)propoxy)quinoline-3-carbonitrile; Bosutinib (USAN); Bosutinib [USAN:INN]; NCGC00241107-01; DB8; WAY-173606; Bosutinib,SKI-606; PubChem22404; Bosutinib (SKI606); Bosutinib(SKI-606); PF-5208763; Bosutinib - SKI-606; EC 700-455-1; MLS006011212; SCHEMBL158390; BDBM4552; GTPL5710; QCR-26; Bosutinib, >=98% (HPLC); EX-A391; SYN1025; UBPYILGKFZZVDX-UHFFFAOYSA-N; BCPP000318; HMS2043A22; HMS3244A03; HMS3244A04; HMS3244B03; HMS3651C03; HMS3743E09; K00615a; AOB87309; BCP01782; ABP000235; MFCD07367846; SK 606; ZINC22448983; AKOS015902521; AC-2413; API0024729; BCP9000446; CCG-208129; CS-0118; DB06616; PB30881; NCGC00241107-03; NCGC00241107-05; AK544289; AS-11064; HY-10158; SC-23008; SMR002530350; AB0008633; FT-0656231; S1014; SKI606; SKI 606; SK-I606; SW220197-1; X4840; A25014; D03252; Q-4427; AB01565836_03; 843B754; Q894611; SR-01000941572; J-519931; SR-01000941572-1; BRD-K99964838-001-01-0; BRD-K99964838-001-06-9; 3-Quinolinecarbonitrile, 4-((2,4-dichloro-5-methoxyphenyl)amino)-6-methoxy-7-(3-(4-methyl-1-piperazinyl)propoxy)-; 4-(2,4-Dichloro-5-methoxy-phenylamino)-6-methoxy-7-[3-(4-methyl-piperazin-1-yl)propoxy]quinoline-3-carbonitrile; 4-(3,5-Dichloro-4-methoxyanilino)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile; SKI-606;4-(2,4-Dichloro-5-methoxy-phenylamino)-6-methoxy-7-[3-(4-methyl-piperazin-1-yl)-propoxy]-quinoline-3-carbonitrile;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C26H29Cl2N5O3",
"molecular_weight": "530.4",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "5328940",
"classification": "L",
"indications": "",
"side_effects": "",
"atc_codes": "L01XE14",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01817",
"RC02438",
"RC03059"
]
},
{
"compound_ID": "D0813",
"name": "bromadiolone",
"synonyms": "Bromadiolone; 28772-56-7; Broprodifacoum; Bromadiolon; Bromatrol; Maki; Bromone; Contrac; Ratimus; Boldo; Temus; Sup'operats; Super-rozol; Boot hill; Super-caid; Bromore; Contrax; Topidion; Canadien 2000; Eradic; Rafix; Super-Cald; Caswell No. 486AB; Bromadiolone [BSI:ISO]; LM-637; Broprodifacoum [South Africa]; HSDB 6458; EINECS 249-205-9; EPA Pesticide Chemical Code 112001; BRN 1335336; CHEBI:81855; 3-(3-(4'-Bromo(1,1'-biphenyl)-4-yl)3-hydroxy-1-phenylpropyl)-4-hydroxy-2H-1-benzopyran-2-one; 2H-1-Benzopyran-2-one, 3-[3-(4'-bromo[1,1'-biphenyl]-4-yl)-3-hydroxy-1-phenylpropyl]-4-hydroxy-; 3-(4-Hydroxycoumarin-3-yl)-3-phenyl-1-(4-bromobiphenyl)propan-1-ol; 3-(alpha-(p-Bromophenyl)-beta-hydroxyphenethyl)benzyl-4-hydroxycoumarin; (Hydroxy-4 coumarinyl 3)-3 phenyl-3 (bromo-4 biphenylyl-4)-1 propanol-1; 3-(3-(4'-Bromobiphenyl-4-yl)-3-hydroxy-1-phenylpropyl)-4-hydroxycoumarin; 3-(4-Hydroxy-2-oxochromen-3-yl)-3-phenyl-1-(4-bromobiphenyl)propan-1-ol; 3-(alpha-(p-(p-Bromophenyl)-beta-hydroxyphenethyl)benzyl)-4-hydroxycoumarin; Coumarin, 3-(alpha-(p-(p-bromophenyl)-beta-hydroxyphenethyl)benzyl)-4-hydroxy-; (Hydroxy-4 coumarinyl 3)-3 phenyl-3 (bromo-4 biphenylyl-4)-1 propanol-1 [French]; (Hydroxy-4-coumarinyl-3)-3-phenyl-3-(bromo-4-biphenylyl-4)-1-propanol-1 [French]; Coumarin, 3-(3-(4'-bromo-1,1'-biphenyl-4-yl)-3-hydroxy-1-phenylpropyl)-4-hydroxy-; DSSTox_CID_12589; DSSTox_RID_78997; DSSTox_GSID_32589; 2H-1-Benzopyran-2-one, 3-(3-(4'-Bromo(1,1'-biphenyl)-4-yl)-3-hydroxy-1-phenylpropyl)-4-hydroxy-; bromodialone; 3-(3-(4'-Bromo(1,1'-biphenyl)-4-yl)-3-hydroxy-1-phenylpropyl)-4-hydroxy-2-benzopyrone; 3-(3-(4'-Bromo-(1,1'-biphenyl)-4-yl)-3-hydroxy-1-phenylpropyl)-4-hydroxycoumarin; 3-[3-[4-(4-bromophenyl)phenyl]-3-hydroxy-1-phenylpropyl]-4-hydroxychromen-2-one; 3-(3-(4'-Bromo(1,1'-biphenyl)-4-yl)-3-hydroxy-1-phenylpropyl)-4-hydroxy-2H-1-benzopyran-2-one; CAS-28772-56-7; Bromadialone; C30H23BrO4; Tamogam; Slaymor (Salt/Mix); Rentokil deadline (Salt/Mix); SCHEMBL433993; SCHEMBL5933914; CHEMBL1165553; DTXSID9032589; CTK8F8334; OWNRRUFOJXFKCU-UHFFFAOYSA-N; Tox21_112561; Tox21_301920; MFCD00128053; (Hydroxy-4-coumarinyl-3)-3-phenyl-3-(bromo-4-biphenylyl-4)-1-propanol-1; AKOS015907923; AKOS030254788; Tox21_112561_1; CM10942; ACM28772567; NCGC00163939-01; NCGC00163939-02; NCGC00255356-01; 3-(3-(4'-bromo(1,1'-biphenyl)-4-yl)-3-hydroxy-1- phenylpropyl)-4-hydroxy-2H-1-benzopyran-2-one; AC-12416; CC-25211; LS-55125; DB-047454; Bromadiolon, PESTANAL(R), analytical standard; C18596; 772B567; A819585; C-23089; Q423091; J-017254; 3-(.alpha.-(p-(p-Bromophenyl)-.beta.-hydroxyphenethyl)benzyl)-4-hydroxycoumarin; 3-(1-Phenyl-3-hydroxy-3-(4-(4-bromophenyl)pheny)propyl)-4-hydroxy-coumarin; 3-(3-(4'-Bromo-(1,1'-biphenyl)-4-yl)-3-hydroxy-1-phenylpropyl)-4-hydroxy-coumarin; 3-(3-(4'-bromobiphenyl-4-yl)-3-hydroxy-1-phenylpropyl)-4-hydroxy-2H-chromen-2-one; 3-[3-(4'-bromo[1,1'-biphenyl]-4-yl)-3-hydroxy-1-phenylpropyl]-4-hydroxy-2- benzopyrone; 3-[3-[4-(4-bromophenyl)phenyl]-3-hydroxy-1-phenylpropyl]-2-hydroxy-1-benzopyran-4-one; 3-[3-[4-(4-bromophenyl)phenyl]-3-oxidanyl-1-phenyl-propyl]-2-oxidanyl-chromen-4-one; Coumarin, 3-(.alpha.-(p-(p-bromophenyl)-.beta.-hydroxyphenethyl)benzyl)-4-hydroxy-; Coumarin, 3-(alpha-(p-(p-bromophenyl)-beta-hydroxyphenethyl)benzyl)-4-hydroxy- (8CI); 3-[3-(4'-Bromo[1,1'-biphenyl]-4-yl)-3-hydroxy-1-phenylpropyl]-4-hydroxy-2H-chromen-2-one;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C30H23BrO4",
"molecular_weight": "527.4",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "54680085",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01818",
"RC02439",
"RC03060"
]
},
{
"compound_ID": "D0814",
"name": "bromociclen",
"synonyms": "Bromocyclen; Bromociclen; Alugan; Bromocyclene; Bromodan; 1715-40-8; Bromomethylhexachlorobicycloheptene; CHEBI:82097; 5-(bromomethyl)-1,2,3,4,7,7-hexachlorobicyclo[2.2.1]hept-2-ene; 5-(Bromomethyl)-1,2,3,4,7,7-hexachloro-2-norbornene; Bromocyclene [French]; Caswell No. 116; NCGC00166203-01; 2-NORBORNENE, 5-(BROMOMETHYL)-1,2,3,4,7,7-HEXACHLORO-; 5-(Bromomethyl)-1,2,3,4,7,7-hexachlorobicyclo(2.2.1)hept-2-ene; Bicyclo[2.2.1]hept-2-ene, 5-(bromomethyl)-1,2,3,4,7,7-hexachloro-; Bromociclene [INN-French]; Bromociclenum [INN-Latin]; Bromocyclene [ISO-French]; Bromocicleno [INN-Spanish]; DSSTox_CID_21680; DSSTox_RID_79814; DSSTox_GSID_41680; EINECS 216-996-7; Bicyclo(2.2.1)hept-2-ene, 5-(bromomethyl)-1,2,3,4,7,7-hexachloro-; EPA Pesticide Chemical Code 008705; CAS-1715-40-8; AI3-23393; Bromociclen [INN]; Bromocyclen [BSI:ISO]; SCHEMBL117965; CHEMBL1437390; DTXSID6041680; CTK8F8340; DAASOABUJRMZAD-UHFFFAOYSA-N; Tox21_112345; Tox21_301856; ENT 23393; AKOS022181470; Tox21_112345_1; MCULE-4561749674; SD 2774; NCGC00166203-02; NCGC00255473-01; LS-97156; DB-043870; FT-0603571; Bromocyclen, PESTANAL(R), analytical standard; C18958; SR-01000883683; Bromomethyl-1,2,3,4,7,7-hexachloro-2-norbornene; J-010732; SR-01000883683-1; 5-(Bromomethyl)-1,2,3,4,7,7-hexachloro-norbornene; Q27155747; Q27281057; (-)-5-ENDO-BROMOMETHYL-1,2,3,4,7,7-HEXACHLORO-2-NORBORNENE;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C8H5BrCl6",
"molecular_weight": "393.7",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "15583",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01819",
"RC02440",
"RC03061"
]
},
{
"compound_ID": "D0815",
"name": "bromocriptine",
"synonyms": "bromocriptine; Bromocryptine; Bromocriptin; Bromoergocryptine; 25614-03-3; Bromoergocriptine; Bromergocryptine; 2-Bromo-alpha-ergocryptine; Parlodel; 2-Bromo-alpha-ergokryptine; Bromocriptina; Bromocriptinum; 2-Bromo-alpha-ergokryptin; Bromocriptinum [INN-Latin]; Bromocriptina [INN-Spanish]; CB-154; Bromocriptine methanesulfonate; UNII-3A64E3G5ZO; C32H40BrN5O5; CCRIS 3244; 2-Bromoergocryptine; EINECS 247-128-5; 3A64E3G5ZO; CHEBI:3181; Ergoset; 2-Bromo-12'-hydroxy-2'-(1-methylethyl)-5'-alpha-(2-methylpropyl)ergotamin-3',6',18-trione; Bromocryptin; Ergocryptine, 2-bromo-; (5'alpha)-2-bromo-12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-3',6',18-trioxoergotaman; 2-Bromoergokryptine; Ergotaman-3',6',18-trione, 2-bromo-12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'alpha)-; Bromocriptine [BAN]; NSC169774; Bromocriptine [USAN:BAN:INN]; 2-Bromoergocryptine Methanesulfonate; Bromocriptine (USAN/INN); SR-01000075356; Bromocriptine [USAN:INN:BAN]; NCGC00024584-03; 08Y; Bromocriptine+ (GTP-); Prestwick0_000121; Prestwick1_000121; Prestwick2_000121; Carboprost Methylate,(S); DSSTox_CID_2687; Biomol-NT_000005; CHEMBL493; GTPL35; DSSTox_RID_76692; DSSTox_GSID_22687; Lopac0_000171; SCHEMBL25297; (5'alpha)-2-bromo-12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)ergotaman-3',6',18-trione; BIDD:GT0464; SPBio_002101; BPBio1_001131; DTXSID1022687; SANDOZ 15-754; BDBM81993; Ergocryptine, 2-bromo- (8CI); OZVBMTJYIDMWIL-AYFBDAFISA-N; Tox21_110907; PDSP2_001500; ZINC53683151; AKOS015961273; CCG-204266; DB01200; (5'alpha)-2-bromo-12'-hydroxy-5'-isobutyl-2'-isopropyl-3',6',18-trioxoergotaman; dioxooctahydro-2H-oxazolo[3,2-a]pyrrolo; NCGC00024584-04; NCGC00024584-05; (5'alpha)-2-bromo-12'-hydroxy-5'-(2-methylpropyl)-2'-(propan-2-yl)-3',6',18-trioxoergotaman; (6aR,9R)-5-Bromo-N-((2R,5S,10aS,10bS)-10b-hydroxy-5-isobutyl-2-isopropyl-3,6-dioxooctahydro-2H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide; AC-13601; Ergotaman-3',6',18-trione, 2-bromo-12'-hydroxy-2'-(1-methylethyl)-5'alpha-(2-methylpropyl)-; LS-64540; NCI60_001365; 10b-hydroxy-5-isobutyl-2-isopropyl-3,6-; CAS-25614-03-3; C06856; D03165; hexahydroindolo[4,3-fg]quinoline-9-carboxamide; 13177-EP2272832A1; 13177-EP2275420A1; 13177-EP2277876A1; 13177-EP2280008A2; 13177-EP2287165A2; 13177-EP2287166A2; 13177-EP2292614A1; 13177-EP2292620A2; 13177-EP2295412A1; 13177-EP2295413A1; 13177-EP2295439A1; 13177-EP2298731A1; 13177-EP2298738A1; 13177-EP2298779A1; 13177-EP2311808A1; 13177-EP2311818A1; 13177-EP2311829A1; 13177-EP2311837A1; 13177-EP2316470A2; 13177-EP2316834A1; 88085-EP2298415A1; 88085-EP2298742A1; 88085-EP2305648A1; Q413581; J-016067; SR-01000075356-5; (6aR,9R)-5-bromo-N-((2R,5S,10aS,10bS)-; [2,1-c]pyrazin-2-yl)-7-methyl-4,6,6a,7,8,9-; BRD-K14496212-001-01-1; BRD-K14496212-066-04-8; (4R,7R)-10-bromo-N-[(1S,2S,4R,7S)-2-hydroxy-7-(2-methylpropyl)-5,8-dioxo-4-(propan-2-yl)-3-oxa-6,9-diazatricyclo[7.3.0.0^{2,6}]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),2,9,12,14-pentaene-4-carboxamide; (5'alpha)-2-bromo-12'-hydroxy-5'-(2-methylpropyl)-3',6',18-trioxo-2'-(propan-2-yl)ergotaman; (5alpha,5'beta)-2-bromo-12'-hydroxy-5'-(2-methylpropyl)-3',6',18-trioxo-2'-(propan-2-yl)ergotaman; Ergotaman-3',6',18-trione, 2-bromo-12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-,(5'-alpha)-; N-[(2R,5S,10aS,10bS)-10b-hydroxy-5-isobutyl-2-isopropyl-3,6-dioxo-8,9,10,10a-tetrahydro-5H-oxazolo[[?]]pyrrolo[[?]]pyrazin-2-yl]-bromo-methyl-[?]carboxamide;",
"trade_name": "Parlodel",
"abbrev_name": "",
"description": "a dopamine 2 receptor (D2R) agonist; ergoline derivative",
"molecular_formula": "C32H40BrN5O5",
"molecular_weight": "654.6",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "Parent drug and metabolites are almost completely excreted via the liver, and only 6% eliminated via the kidney.",
"protein_binding": "90-96% bound to serum albumin",
"half_life": "2-8 hours",
"absorption": "Approximately 28% of the oral dose is absorbed; however due to a substantial first pass effect, only 6% of the oral dose reaches the systemic circulation unchanged. Bromocriptine and its metabolites appear in the blood as early as 10 minutes following oral administration and peak plasma concentration are reached within 1-1.5 hours. Serum prolactin may be decreased within 2 hours or oral administration with a maximal effect achieved after 8 hours. Growth hormone concentrations in patients with acromegaly is reduced within 1-2 hours with a single oral dose of 2.5 mg and decreased growth hormone concentrations persist for at least 4-5 hours.",
"cid": "31101",
"classification": "G; N",
"indications": "",
"side_effects": "",
"atc_codes": "G02CB01; N04BC01",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0108",
"F0401"
],
"references": [
"RC01820",
"RC02441",
"RC03062",
"RC03589"
]
},
{
"compound_ID": "D0816",
"name": "bromocriptine mesylate",
"synonyms": "BROMOCRIPTINE MESYLATE; Bromocriptine mesilate; Bromocryptine mesylate; Pravidel; Parlodel; 22260-51-1; Bagren; Bromergon; CB-154 mesylate; Bromocriptine methanesulfonate; (+)-Bromocriptine methanesulfonate; UNII-FFP983J3OD; 2-Bromo-alpha-ergocryptine mesylate; Bromocryptine methanesulfonate; CB 154; Bromocriptine (mesylate); EINECS 244-881-1; FFP983J3OD; 2-Bromo-alpha-ergocryptine methanesulfonate; CHEBI:3182; 2-Bromine-alpha-ergocryptine methanesulfonate; 2-Bromo-alpha-ergokryptine-mesilate [German]; CB-154; 2-Bromoergocryptine monomethanesulfonate (salt); alpha-Ergocryptine, 2-bromo-, methanesulfonate; 2-Bromo-12'-hydroxy-5'alpha-isobutyl-2'-isopropylergotaman-3',6',18-trione monomethanesulphonate; Cycloset; oline-9-carboxamide methanesulfonate; (5'a)-2-Bromo-12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)ergotaman-3',6',18-trione mesylate; Ergotaman-3',6',18-trione, 2-bromo-12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, monomethanesulfonate (salt), (5'alpha)-; NSC169774; 2-Bromoergocryptine Mesylate; SR-01000597796; C32H40BrN5O5.CH3SO3H; Bromocriptine mesylate [USAN]; SR-01000075356; C32H40BrN5O5.CH4O3S; Bromocriptine mesylate [USAN:USP]; Parlodel (TN); (5'alpha)-2-bromo-12'-hydroxy-5'-(2-methylpropyl)-3',6',18-trioxo-2'-(propan-2-yl)ergotaman methanesulfonate (salt); (6aR,9R)-5-Bromo-N-[(2R,5S,10aS,10bS)-10b-hydroxy-2-(1-methylethyl)-5-(2-methylpropyl)-3,6-dioxooctahydro-8H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl]-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quin; 2-Bromo-alpha-ergokryptine-mesilate; Prestwick_771; CAS-22260-51-1; DSSTox_CID_197; DSSTox_RID_75426; DSSTox_GSID_20197; SCHEMBL40559; Bromocriptine mesylate (USP); Bromocriptine mesilate (JP17); CHEMBL1200503; DTXSID6020197; CB 154 methanesulfonate (salt); NOJMTMIRQRDZMT-GSPXQYRGSA-N; HMS1568I04; HMS3260D03; HMS3411K09; HMS3675K09; HMS3712I04; 2-Bromo alpha-Ergocryptine Mesylate; Tox21_303597; Tox21_500171; HY-12705A; .alpha.-Ergocryptine, methanesulfonate; AKOS015896276; CCG-220121; CCG-221475; CS-6048; LP00171; LS-7234; NSC-169774; NCGC00257268-01; NCGC00260856-01; 2-Bromo-a-ergocryptine methanesulfonate salt; B6298; EU-0100171; B 2134; D00780; 2-Bromo-.alpha.-ergocryptine monomethanesulfonate; 93201-EP2272825A2; 93201-EP2305633A1; SR-01000075356-1; SR-01000597796-1; SR-01000597796-2; Q27105974; (5'alpha)-2-bromo-12'-hydroxy-5'-(2-methylpropyl)-2'-(propan-2-yl)-3',6',18-trioxoergotaman methanesulfonate; (5'alpha)-2-bromo-12'-hydroxy-5'-isobutyl-2'-isopropyl-3',6',18-trioxoergotaman methanesulfonate; (5xi,5'alpha)-2-bromo-12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-3',6',18-trioxoergotaman methanesulfonate (salt); (5xi,5'alpha)-2-bromo-12'-hydroxy-5'-isobutyl-2'-isopropyl-3',6',18-trioxoergotaman methanesulfonate (salt); 2-bromo-12'-hydroxy-5'a-isobutyl-2'-isopropylergotaman-3',6',18-trione monomethanesulphonate;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C33H44BrN5O8S",
"molecular_weight": "750.7",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "31100",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01821",
"RC02442",
"RC03063"
]
},
{
"compound_ID": "D0817",
"name": "bromofenoxim",
"synonyms": "BROMOFENOXIM; Bromophenoxim; Faneron; Bromophenoxime; 13181-17-4; Bromfenoxim; UNII-Z74704XU6I; Bromfenim; CHEBI:82194; Z74704XU6I; 3,5-Dibromo-4-hydroxybenzaldehyde 2,4-dinitrophenyl oxime; Caswell No. 287A; 3,5-Dibromo-4-hydroxybenzaldehyde (2',4'-dinitrophenyl)oxime; 3,5-Dibrom-4-hydroxylbenzaldoxim-O-(2',4'-dinitrophenyl)-aether; 3,5-Dibromo-4-hydroxybenzaldehyde-O-(2',4'-dinitrophenyl)oxime; Benzaldehyde, 3,5-dibromo-4-hydroxy-, (2,4-dinitrophenyl)oxime; Benzaldehyde, 3,5-dibromo-4-hydroxy-, O-(2,4-dinitrophenyl)oxime; Bromofenoxim [BSI:ISO]; Bromophenoxime [ISO-French]; EINECS 236-129-6; BRN 2486502; C9122; Bromfenoxime; Bromofenoxime; Bromphenoxim; 3,5-Dibromo-4-hydroxybenzaldehyde O-(2,4-dinitrophenyl)oxime; 3,5-Dibrom-4-hydroxylbenzaldoxim-O-(2',4'-dinitrophenyl)-aether [German]; DSSTox_CID_21681; DSSTox_RID_79815; DSSTox_GSID_41681; SCHEMBL54621; SCHEMBL260938; CHEMBL1863271; XTFNPKDYCLFGPV-OMCISZLKSA-N; DNDI1246786; Tox21_300946; AKOS015903629; c 9122; NCGC00248221-01; NCGC00254848-01; CAS-13181-17-4; C19069; Bromofenoxim, PESTANAL(R), analytical standard; J-006059; 3,5-Dibromo-4-hydroxybenzaldoxime 2,4-dinitrophenyl ether; 2,6-dibromo-4-[(E)-(2,4-dinitrophenoxy)iminomethyl]phenol; (E)-3,5-Dibromo-4-hydroxybenzaldehyde O-(2,4-dinitrophenyl) oxime; 3,5-Dibromo-4-hydroxybenzaldehyde O-(2,4-dinitrophenyl)oxime #; 2,6-dibromo-4-[[(2,4-dinitrophenoxy)amino]methylidene]cyclohexa-2, 5-dien-1-one;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C13H7Br2N3O6",
"molecular_weight": "461.02",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "86287521",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01822",
"RC02443",
"RC03064"
]
},
{
"compound_ID": "D0818",
"name": "bromofos",
"synonyms": "Bromofos; BROMOPHOS; Bromophos-methyl; 2104-96-3; Nexion; Bromovur; Brophene; Drillzid; Sovinexion; Brofene; Mexion; Nexagan; Omexan; Netal; Bromofos-methyl; Nexion 40; Metabrom; Nexion 5G; Cx99; Cela S 1942; OMS 658; Bromo-phos-methyl; EL 400; Bromofos [INN]; ENT 27,162; Nexion LC40; Bruomophos [Russian]; Nexion LC 40; Caswell No. 114E; Bromophos [BSI:ISO]; Bromofosum [INN-Latin]; Monsanto CP 51969; S 1942; NSC 527602; UNII-74A4TNE8C3; 4-Bromo-2,5-dichlorophenyl dimethyl phosphorothionate; Phosphorothioic acid, O-(4-bromo-2,5-dichlorophenyl) O,O-dimethyl ester; 74A4TNE8C3; CHEBI:82104; HSDB 6573; OMS-658; NYQDCVLCJXRDSK-UHFFFAOYSA-N; S-1942; EINECS 218-277-3; EPA Pesticide Chemical Code 008706; BRN 1988276; O,O-Dimethyl O-(2,5-dichloro-4-bromophenyl) thiophosphate; O,O-Dimethyl O-(2,5-dichloro-4-bromophenyl) phosphorothioate; O,O-Dimethyl O-(4-bromo-2,5-dichlorophenyl) phosphorothioate; O-(4-Bromo-2,5-dichlorophenyl) O,O-dimethyl phosphorothioate; AI3-27162; Thiophosphate de O,O-dimethyle et de O-4-bromo-2,5-dichlorophenyle; Phenol, 4-bromo-2,5-dichloro-, O-ester with O,O-dimethyl phosphorothioate; o-(4-bromo-2,5-dichlorophenyl) o,o-dimethyl ester; methylbromophos; O,O-Dimethyl-O-(2,5-dichloro-4-bromophenyl)phosphorothioate; O,O-Dimethyl-O-2,5-dichloro-4-bromophenyl phosphorothionate; O-(4-Brom-2,5-dichlor-phenyl)-O,O-dimethyl-monothiophosphat; O-(4-Broom-2,5-dichloor-fenyl)-O,O-dimethyl-monothiofosfaat; O-(4-Bromo-2,5-dichlorophenyl) O,O-dimethyl monothiophosphate; O,O-Dimethyl-O-(2,5-dichlor-4-bromphenyl)-thionophosphat [German]; O-(4-Brom-2,5-dichlor-phenyl)-O,O-dimethyl-monothiophosphat [German]; O-(4-Bromo-2,5-dicloro-fenil)-O,O-dimetil-monotiofosfato [Italian]; O-(4-Broom-2,5-dichloor-fenyl)-O,O-dimethyl-monothiofosfaat [Dutch]; Phosphorothioic acid O-(4-bromo-2,5-dichlorophenyl) O,O-dimethyl ester; Thiophosphate de O,O-dimethyle et de O-4-bromo-2,5-dichlorophenyle [French]; Bromofosum; Bruomophos; (4-bromo-2,5-dichlorophenoxy)-dimethoxy-sulfanylidene-?^{5}-phosphane; C8H8BrCl2O3PS; DSSTox_CID_21683; DSSTox_RID_79817; DSSTox_GSID_41683; BIDD:ER0070; SCHEMBL118537; OMS658; CHEMBL2104572; DTXSID1041683; CTK8E9052; O,5-dichlorophenyl) phosphorothioate; Tox21_301918; NSC527602; O-4-BROMO-2,5-DICHLOROPHENYL O,O-DIMETHYL PHOSPHOROTHIOATE; Thiophosphate de O,5-dichlorophenyle; WLN: GR DG BE EOPS&O1&O1; AKOS015888390; ACM2104963; NSC-527602; NCGC00255569-01; O-(4-Brom-2,O-dimethyl-monothiophosphat; O-(4-Broom-2,O-dimethyl-monothiofosfaat; CAS-2104-96-3; O,5-dichloro-4-bromophenyl) thiophosphate; O-(4-Bromo-2,O-dimethyl phosphorothioate; DB-045462; LS-108420; TR-009891; FT-0603590; O,5-dichloro-4-bromophenyl) phosphorothioate; Bromophos-methyl 10 microg/mL in Acetonitrile; Bromophos-methyl 10 microg/mL in Cyclohexane; Bromophos-methyl 100 microg/mL in Cyclohexane; C18965; 104B963; 135745-EP2275422A1; 135745-EP2292608A1; C-21019; SR-01000944390; Bromophos-methyl, PESTANAL(R), analytical standard; J-013800; Q2926019; SR-01000944390-1; O,O-Dimethyl-O-(2,5-dichlor-4-bromphenyl)-thionophosphat; O-(4-Bromo-2,-dicloro-fenil)-O,O-dimetil-monotiofosfato; O-(4-Bromo-2,5-dicloro-fenil)-O,O-dimetil-monotiofosfato; Phosphorothioic acid,5-dichlorophenyl) O,O-dimethyl ester; O-(4-Bromo-2,5-dichlorophenyl) O,O-dimethyl thiophosphate #; O-(4-bromo-2,5-dichlorophenyl)-O,O-dimethyl phosphorothioate; Phenol,5-dichloro-, O-ester with O,O-dimethyl phosphorothioate;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C8H8BrCl2O3PS",
"molecular_weight": "366",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "16422",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01823",
"RC02444",
"RC03065"
]
},
{
"compound_ID": "D0819",
"name": "bromoxynil octanoate",
"synonyms": "Bromoxynil octanoate; 1689-99-2; 2,6-DIBROMO-4-CYANOPHENYL OCTANOATE; Bromoxynil-octanoate; Brominal W; Octanoic acid, 2,6-dibromo-4-cyanophenyl ester; 3,5-Dibromo-4-hydroxybenzonitrile octanoate; Caswell No. 119A; UNII-9HL5XAW9SK; Bromoxynil octanoate [ISO]; Bromoxynil octanoic acid ester; Benzonitrile, 3,5-dibromo-4-octanoyloxy-; HSDB 7308; NPH 1320; EINECS 216-885-3; 4-Cyano-2,6-dibromophenyl octanoate; 9HL5XAW9SK; EPA Pesticide Chemical Code 035302; (2,6-dibromo-4-cyanophenyl) octanoate; 3,5-Dibromo-4-octanoyloxy-benzonitrile; BRN 2756636; RP-16272; DQKWXTIYGWPGOO-UHFFFAOYSA-N; Octanoic acid ester of 3,5-dibromo-4-hydroxybenzonitrile; C15H17Br2NO2; DSSTox_CID_3932; Bromoxynil octanoate E.C.; DSSTox_RID_77234; DSSTox_GSID_23932; SCHEMBL161072; CHEMBL1903970; DTXSID7023932; Octanoic acid, ester with 3,5-dibromo-4-hydroxybenzonitrile; ZINC2039317; Tox21_201068; NCGC00163996-01; NCGC00163996-02; NCGC00258621-01; LS-38674; S286; CAS-1689-99-2; AX8018808; FT-0727535; [2,6-bis(bromanyl)-4-cyano-phenyl] octanoate; octanoic acid (2,6-dibromo-4-cyanophenyl) ester; 689B992; A811047; J-010497; Q22133404; Bromoxynil-octanoate, PESTANAL(R), analytical standard; 86702-80-9;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C15H17Br2NO2",
"molecular_weight": "403.11",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "15533",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01824",
"RC02445",
"RC03066"
]
},
{
"compound_ID": "D0820",
"name": "broquinaldol",
"synonyms": "Broquinaldol; 15599-52-7; 5,7-dibromo-2-methylquinolin-8-ol; 5,7-Dibromo-8-hydroxyquinaldine; 8-Quinolinol, 5,7-dibromo-2-methyl-; UNII-519JDS089K; 5,7-Dibromo-2-methyl-8-quinolinol; 519JDS089K; 8-Quinolinol,5,7-dibromo-2-methyl-; NCGC00160566-01; DSSTox_CID_26235; DSSTox_RID_81462; DSSTox_GSID_46235; J-650347; Brochinaldol; Broquinaldolum; Broquinaldol [INN]; CAS-15599-52-7; Broquinaldolum [Latin]; Broquinaldolum [INN-Latin]; 5,7-Dibrom-2-methyl-8-chinolinol; EINECS 239-680-0; NCIOpen2_009486; SCHEMBL2110667; ZINC1061; CHEMBL1394319; DTXSID9046235; CTK4C8919; BNACJQWJZKPAPV-UHFFFAOYSA-N; 8-Quinolinol,7-dibromo-2-methyl-; NSC85838; Tox21_111904; 5,7-Bibromo-2-methylquinolin-8-ol; NSC-85838; SBB057821; 5,7-dibromo-2-methyl-quinolin-8-ol; AKOS003391968; Tox21_111904_1; FCH1320026; MCULE-5296588218; NCGC00160566-02; 5,7-Dibromo-2-methyl-8-hydroxyquinoline; 5,7-dibromo-8-hydroxy-2-methylquinoline; 5,7-Dibromo-2-methyl-8-quinolinol, 97%; DB-030213; FT-0705200; ST50409278; Q27260888;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C10H7Br2NO",
"molecular_weight": "316.98",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "65620",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01825",
"RC02446",
"RC03067"
]
},
{
"compound_ID": "D0821",
"name": "bryostatin 1",
"synonyms": "Bryostatin 1; UNII-37O2X55Y9E; 83314-01-6; CHEMBL449158; Bryostatin-1; CHEBI:88353; 37O2X55Y9E; BRYOSTATIN; NSC 339555; BRN 4349157; NSC-339555; NCGC00181150-01; (1S-(1R*,3R*,5Z,7S*,8E,11R*,12R*(2E,4E),13E,15R*,17S*(S*),21S*,23S*,25R*))-25-(Acetyloxy)-1,11,21-trihydroxy-17-(1-hydroxyethyl)-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo(21.3.1.13,7.111,15)nonacos-8-en-12-yl 2,4-octadienoate; 2,4-Octadienoic acid, 25-(acetyloxy)-1,11,21-trihydroxy-17-(1-hydroxyethyl)-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo(21.3.1.13,7.111,15)nonacos-8-en-12-yl ester, (1S-(1R*,3R*,5Z,7S*,8E,11R*,12R*(2E,4E),13E,15R*,17S*(S*),21S*,23S*,25R*))-; DSSTox_CID_26876; DSSTox_RID_81981; DSSTox_GSID_46876; SCHEMBL182960; DTXSID8046876; Bryostatin 1, >=99%, solid; MJQUEDHRCUIRLF-TVIXENOKSA-N; 2,4-Octadienoic acid, (1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,21R,23R,25S)-25-(acetyloxy)-1,11,21-trihydroxy-17-((1R)-1-hydroxyethyl)-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo(21.3.1.13,7.111,15)nonacos-8-en-12-yl ester, (2E,4E)-; Tox21_112754; BDBM50258529; BMY-45618; MFCD00893832; ZINC169357315; CAS-83314-01-6; Q27095907; (1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,21R,23R,25S)-25-(acetyloxy)-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo[21.3.1.1(3,7).1(11,15)]nonacos-8-en-12-yl (2E,4E)-octa-2,4-dienoate;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C47H68O17",
"molecular_weight": "905",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "5280757",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01826",
"RC02447",
"RC03068"
]
},
{
"compound_ID": "D0822",
"name": "buclizine dihydrochloride",
"synonyms": "129-74-8; Buclizine dihydrochloride; Buclizine hydrochloride; Buclizine HCl; Longifene; 1-(4-(tert-Butyl)benzyl)-4-((4-chlorophenyl)(phenyl)methyl)piperazine dihydrochloride; Buclina; Bucladin-S; BUCLIZINE, DIHYDROCHLORIDE; Softran; Postafeno; Bucladin S; buclizine 2HCl; Aphilan R; Vibazine hydrochloride; Buclizine hydrochloride [USAN]; Histabutyzine hydrochloride; Histabutyzine dihydrochloride; EINECS 204-962-4; NSC 25141; UNII-EOP5593FPH; UNII-V4OCE982YU; EOP5593FPH; V4OCE982YU; UCB 4445; UCB-4445; CHEBI:61193; A 7668; 1-(p-Chlorobenzhydryl)-4-(p-t-butylbenzyl)diethylenediamine dihydrochloride; 1-(p-tert-Butylbenzyl)-4-(p-chloro-alpha-phenylbenzyl)piperazine dihydrochloride; AK-54927; 1-p-Chlorobenzhydryl-4-p-(t)-butylbenzylpiperazine dihydrochloride; 1-(p-tert-Butylbenzyl)-4-(p-chlorodiphenylmethyl)piperazine dihydrochloride; Piperazine, 1-((4-chlorophenyl)phenylmethyl)-4-((4-(1,1-dimethylethyl)phenyl)methyl)-, dihydrochloride; Buclizine hydrochloride (USAN); C28H33ClN2; 1-(4-(tert-Butyl)benzyl)-4-((4-chlorophenyl)-(phenyl)methyl)piperazine dihydrochloride; Piperazine, 1-(p-tert-butylbenzyl)-4-(p-chloro-alpha-phenylbenzyl)-, dihydrochloride; Bucladin; buclizine-hcl; 1-[(4-tert-butylphenyl)methyl]-4-[(4-chlorophenyl)-phenylmethyl]piperazine;dihydrochloride; Vibazine (TN); C28H33ClN2.2HCl; DSSTox_CID_25091; DSSTox_RID_80665; DSSTox_GSID_45091; SCHEMBL123751; Buclizine hydrochloride, (+)-; Buclizine hydrochloride, (-)-; CHEMBL2360580; DTXSID5045091; Perlapine, >=98% (HPLC); CTK8C1377; BCP22428; KS-00000FU4; Tox21_110023; ANW-66382; s4140; AKOS016004771; API0001773; BCP9000459; KS-1250; NCGC00013315-01; 4CA-0326; CAS-129-74-8; Q710; BCP0726000050; Buclizine dihydrochloride, >=98% (HPLC); AX8118925; LS-110573; TC-155127; FT-0663892; ST24037299; D02089; 129B748; J-005711; Q27130875; (rs)-1-(4-t-butylbenzyl)-4-(4-chlorobenzhydryl) piperazine dihydrochloride; 1-(4-tert-butylbenzyl)-4-[(4-chlorophenyl)(phenyl)methyl]piperazine dihydrochloride; 1-(4-tert-butylbenzyl)-4-[(4-chlorophenyl)(phenyl)methyl]piperazinediium dichloride; 163837-35-2; 163837-36-3; Piperazine, 1-((4-chlorophenyl)phenylmethyl)-4-((4-(1,1-dimethylethyl)phenyl)methyl)-, dihydrochloride, (+)-; Piperazine, 1-((4-chlorophenyl)phenylmethyl)-4-((4-(1,1-dimethylethyl)phenyl)methyl)-, dihydrochloride, (-)-; Piperazine, 1-((4-chlorophenyl)phenylmethyl)-4-((4-(1,1-dimethylethyl)phenyl)methyl)-, hydrochloride (1:2);",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C28H35Cl3N2",
"molecular_weight": "505.9",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "65463",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01827",
"RC02448",
"RC03069"
]
},
{
"compound_ID": "D0823",
"name": "butylparaben",
"synonyms": "Butyl 4-hydroxybenzoate; BUTYLPARABEN; 94-26-8; Butyl paraben; Butyl p-hydroxybenzoate; Nipabutyl; Butoben; Butyl chemosept; Butyl parasept; Butyl tegosept; Butyl butex; Tegosept Butyl; Aseptoform butyl; Preserval B; Butyl parahydroxybenzoate; Tegosept B; Solbrol B; n-Butyl p-hydroxybenzoate; Butyl-Parasept; 4-(Butoxycarbonyl)phenol; n-Butyl parahydroxybenzoate; Benzoic acid, 4-hydroxy-, butyl ester; n-Butyl hydroxybenzoate; n-Butyl-p-hydroxybenzoate; 4-Hydroxybenzoic acid butyl ester; Butylparaben [USAN]; Caswell No. 130A; Benzoic acid, p-hydroxy-, butyl ester; FEMA Number 2203; n-Butyl paraben; n-Butyl-paraben; p-Hydroxybenzoic acid butyl ester; Butyl Par asept; n-butyl 4-hydroxybenzoate; Lexgard B; n-Butyl-4-hydroxybenzoate; UNII-3QPI1U3FV8; NSC 8475; Butylparaben (NF); Butylparaben (TN); Butylparaben [NF]; FEMA No. 2203; CCRIS 2462; HSDB 286; SPF; p-Hydroxybenzoic acid, butyl ester; 4-Hydroxybenzoic acid, butyl ester; p-Hydroxy butyl benzoate; p-Hydroxybenzoic acid n-butyl ester; EINECS 202-318-7; EPA Pesticide Chemical Code 061205; p-Hydroxybenzoic butyl ester; BRN 1103741; 3QPI1U3FV8; AI3-02930; Butyl parahydroxybenzoate (TN); CHEBI:88542; QFOHBWFCKVYLES-UHFFFAOYSA-N; CAS-94-26-8; NCGC00016354-03; DSSTox_CID_209; DSSTox_RID_75434; DSSTox_GSID_20209; F0266-0124; Butyl 4-hydroxybenzoate, 99+%; butyl-p-hydroxybenzoate; SMR000462402; butyl p-hydroxy benzoate; SR-01000389296; 27K; MFCD00016478; 4mg9; 5434-74-2; Prestwick0_000894; Prestwick1_000894; Prestwick2_000894; Prestwick3_000894; ACMC-209rr1; WLN: QR DVO4; cid_7184; SCHEMBL3647; BSPBio_000708; Butyl //p//-Hydroxybenzoate; MLS000575004; MLS002154054; MLS002303045; BIDD:ER0231; SPBio_002917; BPBio1_000780; CHEMBL459008; N-Butyl-P-Hydroxybenzoate,(S); DTXSID3020209; BDBM23448; CTK5A0578; FEMA 2203; KS-00000FUE; NSC8475; Butyl parahydroxybenzoate (JP15); Butyl parahydroxybenzoate (JP17); Butyl 4-hydroxybenzoate, >=99%; BUTYL PARA HYDROXY BENZOATE; HMS1570D10; HMS2094A21; HMS2097D10; HMS2220G15; HMS3327P04; HMS3714D10; Pharmakon1600-01505995; HY-B1431; NSC-8475; ZINC1586769; 4-Hydroxybenzoic acid-n-butyl ester; Tox21_110393; Tox21_201785; Tox21_300332; ANW-40235; NSC759303; p-Hydroxybenzoic acid, n-butyl ester; s4584; SBB060338; AKOS000121421; Tox21_110393_1; CCG-213596; CS-4783; DB14084; LS-1961; MCULE-3352613586; MP-2138; NSC-759303; RTX-012272; TRA0049963; Butyl 4-?Hydroxybenzoate(Butyl Paraben); NCGC00016354-01; NCGC00016354-02; NCGC00016354-04; NCGC00016354-05; NCGC00016354-06; NCGC00016354-07; NCGC00016354-11; NCGC00091142-01; NCGC00091142-02; NCGC00254294-01; NCGC00259334-01; AK113821; AS-14309; K716; SBI-0206946.P001; Butyl 4-hydroxybenzoate, >=99.0% (GC); DS-010619; ST2412715; AB00513951; B3771; FT-0623315; ST50405535; A16382; D01420; AB00513951_09; Q3302873; SR-01000389296-1; SR-01000389296-3; W-100204; BRD-K08287586-001-03-6; BRD-K08287586-001-08-5; Butyl 4-hydroxybenzoate, SAJ first grade, >=99.0%; Z291799028; 4-Hydroxybenzoic acid-n-butyl ester 100 microg/mL in Acetonitrile; InChI=1/C11H14O3/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7,12H,2-3,8H2,1H;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C11H14O3",
"molecular_weight": "194.23",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "7184",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01828",
"RC02449",
"RC03070"
]
},
{
"compound_ID": "D0824",
"name": "c.i. 1040",
"synonyms": "212631-79-3; CI-1040; PD184352; PD 184352; PD-184352; 2-(2-chloro-4-iodophenylamino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide; PD184352 (CI-1040); CI 1040; PD 184,352; CI1040; 2-(2-chloro-4-iodophenylamino)-N-cyclopropylmethoxy-3,4-difluorobenzamide; PD-18435; 2-((2-Chloro-4-iodophenyl)amino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide; UNII-R3K9Y00J04; C.I. 1040; CHEMBL105442; R3K9Y00J04; NCGC00189074-01; CI-1040 (PD184352); DSSTox_CID_28871; DSSTox_RID_83140; DSSTox_GSID_48945; C17H14ClF2IN2O2; 2-[(2-CHLORO-4-IODOPHENYL)AMINO]-N-(CYCLOPROPYLMETHOXY)-3,4-DIFLUOROBENZAMIDE; CAS-212631-79-3; GFMMXOIFOQCCGU-UHFFFAOYSA-N; MLS006010176; SCHEMBL570330; PD 184352, Free Base; GTPL5676; QCR-25; DTXSID8048945; CHEBI:91353; CTK4E6241; KS-00001DTQ; SYN1031; HMS3244G05; HMS3244G06; HMS3244H05; HMS3265I07; HMS3265I08; HMS3265J07; HMS3265J08; HMS3654I05; AOB87195; BCP01791; EX-A2202; ZINC1489691; Tox21_113363; ABP000919; BDBM50132260; MFCD02683961; s1020; 2-(2-Chloro-4-iodo-phenylamino)-N-cyclopropylmethoxy-3,4-difluoro-benzamide; 2-(2-chloro-4-iodoanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide; AKOS022184333; Tox21_113363_1; CS-0058; DB12429; SB19417; NCGC00189074-03; NCGC00189074-05; 4CA-0980; AC-25483; AS-19373; HY-50295; SC-94174; SMR004701284; CI-1040,PD184352; ZINC000001489691; AB0033705; DB-014962; RT-014965; CI-1040; PD184352; FT-0673543; ST24038946; SW219604-1; X7396; CI-1040-(PD184352); EC-000.2331; PD 184352(CI-1040); PD184352 - CI-1040; A25744; PD184352, >=98% (HPLC); S-7729; CI-1040/CI1040,PD184352; 631C793; US8575391, 341; J-505572; BRD-K05104363-001-01-9; Q27076005; 4-iodophenylamino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide; 2-(2-Chloro4-iodophenylamino)-N-cyclopropylmethoxy-3,4-difluorobenzamide; 2-[(2-Chloro-4-iodophenyl)amino]-N-cyclopropylmethoxy)-3,4-difluorobenzamide; Benzamide, 2-((2-chloro-4-iodophenyl)amino)-N-(cyclopropylmethoxy)-3,4-difluoro-; CI-1040|||2-(2-Chloro-4-iodoanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C17H14ClF2IN2O2",
"molecular_weight": "478.7",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "6918454",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01829",
"RC02450",
"RC03071"
]
},
{
"compound_ID": "D0825",
"name": "c.i. basic orange 2",
"synonyms": "Chrysoidine; Basic Orange 2; 532-82-1; Chrysoidine G; Chrysoidine Y; Chrysoidin; C.I. Basic Orange 2; Chrysoidine ygh; Chrysoidine A; Chrysoidine B; Chrysoidine J; Chrysoidine M; Chrysoidin Y; Chrysoidine GN; Chrysoidine GS; Chrysoidine HR; Chrysoidine SL; Chrysoidine SS; Chrysoidine YL; Chrysoidine YN; Chrysoidin FB; Chrysoidin YN; Chrysoidine PRL; Chrysoidine PRR; Chrysoidine(II); Sugai Chrysoidine; Chrysoidine Y ex; Chrysoidine Orange; Pyracryl Orange Y; Chrysoidine (II); Leather Orange HR; Pure chrysoidine yd; Chrysoidine Crystals; Astra Chrysoidine R; Calcozine Orange YS; Brasilazina Orange Y; Tertrophene Brown CG; Pure Chrysoidine YBH; Chrysoidine Y Special; Chrysoidine C crystals; Elcozine chrysoidine Y; Chrysoidine Y Crystals; Calcozine Chrysoidine Y; Diazocard Chrysoidine G; C.I. Basic Orange 3; Nippon Kagaku Chrysoidine; Brilliant Oil Orange Y Base; Basonyl Orange 200; Verona Chrysoidine GN; Atlantic Chrysoidine Y; 2,4-Diaminoazobenzene hydrochloride; C.I. 11270; 1,3-Benzenediamine, 4-(phenylazo)-, monohydrochloride; Chryzoidyna F.B. [Polish]; CCRIS 162; C.I. Basic Orange 2, monohydrochloride; UNII-2431787HMZ; HSDB 5491; Chrysoidine hydrochloride; EINECS 208-545-8; NSC 152834; 4-Phenylazophenylene-1,3-diamine monohydrochloride; Chrysoidine special (biological stain and indicator); CI 11270; 2,4-DIAMINOAZOBENZENEHYDROCHLORIDE; 4-Phenylazo-m-phenylenediamine hydrochloride; CHEBI:82424; m-Phenylenediamine, 4-(phenylazo)-, hydrochloride; 4-(Phenylazo)-m-phenylenediamine, monohydrochloride; 4-(Phenylazo)-1,3-benzenediamine, monohydrochloride; 4-(Phenylazo)-1,3-phenylenediamine, monohydrochloride; m-Phenylenediamine, 4-(phenylazo)-, monohydrochloride; 2431787HMZ; Basic Orange:Chrysoidine Crystals, 1.3-Benzenediamine, 4-(phenylazo), monohydrochloride; W-105756; Chryzoidyna F.B.; 4-[(Z)-phenyldiazenyl]benzene-1,3-diamine hydrochloride; Chrysoidin, pure; 1,3-Benzenediamine, 4-(2-phenyldiazenyl)-, hydrochloride (1:1); C.I. Basic Oange 2; DSSTox_CID_4559; 4-Phenylazo-m-phenylenediamine monohydrochloride; DSSTox_RID_77452; DSSTox_GSID_24559; SCHEMBL136697; WLN: ZR CZ DNUNR &GH; CHEMBL1524085; CHEMBL1682185; DTXSID0024559; m-Phenylenediamine, hydrochloride; MCTQNEBFZMBRSQ-UHFFFAOYSA-N; Chrysoidine G, analytical standard; Chrysoidine G (C.I. 11270); Tox21_202486; LS-194; MFCD00012976; NSC152834; SBB058228; 2,4-Diamino azo benzene hydrochloride; AKOS015903185; AKOS024319209; 1, 4-(phenylazo)-, monohydrochloride; MCULE-1639351725; NSC-152834; NCGC00090857-01; NCGC00260035-01; AC-19100; CAS-532-82-1; T297; TR-018844; FT-0623812; ST50410030; 4-(Phenylazo)-m-phenylenediamine hydrochloride; C.I. Basic Orange 2, monohydrochloride (8CI); C19369; 4-(phenyldiazenyl)benzene-1,3-diamine, chloride; 4-(Phenylazo)-m-phenylenediamine monohydrochloride; 4-phenyldiazenylbenzene-1,3-diamine,hydrochloride; 4-(Phenylazo)-1,3-benzenediamine monohydrochloride; Chrysoidine G, for microscopy (Bact., Bot., Vit.); Q17522036; (E)-4-(phenyldiazenyl)benzene-1,3-diamine hydrochloride; 4-(Phenyldiazenyl)benzene-1,3-diamine--hydrogen chloride (1/1);",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C12H13ClN4",
"molecular_weight": "248.71",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "10771",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01830",
"RC02451",
"RC03072"
]
}
]
}
