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{
"count": 1453,
"next": "https://mitotox.org/api/compounds/list?format=api&page=7",
"previous": "https://mitotox.org/api/compounds/list?format=api&page=5",
"results": [
{
"compound_ID": "D0525",
"name": "penthiopyrad",
"synonyms": "Penthiopyrad; 183675-82-3; CHEBI:83138; DPX-LEM 17; 1-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-3-(trifluoromethyl)pyrazole-4-carboxamide; (rs)-n-[2-(1,3-dimethylbutyl)-3-thienyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide; Vertisan; Gaia; Penthiopyrad [ISO]; SCHEMBL18701; C16H20F3N3OS; MTF753; CHEMBL2251844; DTXSID6058005; BCP13108; BDBM50079600; CP0123; MFCD11973641; AKOS015914702; CM14092; CS-3306; AC-25642; HY-17520; ST24037998; X5975; C18482; Penthiopyrad, PESTANAL(R), analytical standard; 675P823; J-011771; Q14075651; 1-methyl-N-[2-(4-methylpentan-2-yl)-3-thienyl]-3-(trifluoromethyl)pyrazole-4-carboxamide; n-[2-(1,3-dimethylbutyl)-3-thienyl]-1-methyl-3-(trifluoromethyl)-1h-pyrazole-4-carboxamide; 1-methyl-N-[2-(4-methylpentan-2-yl)-3-thienyl]-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide; Penthiopyrad 100 microg/mL in Acetonitrile. Short expiry date due to chemical nature of component(s);",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C16H20F3N3OS",
"molecular_weight": "359.4",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "11388558",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T002007"
],
"function": [
"F020103"
],
"references": [
"RC01126"
]
},
{
"compound_ID": "D0526",
"name": "boscalid",
"synonyms": "Boscalid; 188425-85-6; Nicobifen; Endura; 2-Chloro-N-(4'-chloro-[1,1'-biphenyl]-2-yl)nicotinamide; Anilide; Emerald; Pristine; Cantus; Boscalid [ISO]; UNII-32MS8ZRD1V; 2-chloro-N-(4'-chlorobiphenyl-2-yl)nicotinamide; BAS 510F; 3-Pyridinecarboxamide, 2-chloro-N-(4'-chloro[1,1'-biphenyl]-2-yl)-; 2-chloro-N-[2-(4-chlorophenyl)phenyl]pyridine-3-carboxamide; 32MS8ZRD1V; CHEBI:81822; WYEMLYFITZORAB-UHFFFAOYSA-N; NCGC00163735-04; 2-chloro-N-(4'-chloro[1,1'-biphenyl]-2-yl)pyridine-3-carboxamide; 3-Pyridinecarboxamide, 2-chloro-N-(4'-chloro(1,1'-biphenyl)-2-yl)-; HSDB 7499; DSSTox_CID_14392; DSSTox_RID_79152; DSSTox_GSID_34392; SCHEMBL18517; CHEMBL1076544; DTXSID6034392; BAS 510 F; KS-00000FTR; ZINC3612929; Tox21_400045; Boscalid 10 microg/mL in Cyclohexane; AKOS015895938; Boscalid 10 microg/mL in Acetonitrile; DB12792; DS-9792; LS41255; TRA0029363; NCGC00163735-01; NCGC00163735-02; NCGC00163735-03; NCGC00163735-05; AK160818; LS-184271; B4038; Boscalid, PESTANAL(R), analytical standard; CAS-188425-85-6; FT-0658358; ST24040455; C18547; 2-Chloro-N-(4'-chloro-2-biphenylyl)nicotinamide; 425B856; Q894358; J-012142; J-519930; 2-chloro-N-(4'-chloro[1,1'-biphenyl]-2-yl)-3-pyridinecarboxamide; 2-Chloro-N-(4'-chlorobiphenyl-2-yl)nicotinamide|||Endura|||BAS 510F|||Nicobifen;",
"trade_name": "",
"abbrev_name": "",
"description": "EC 1.3.5.1 succinate dehydrogenase (quinone) inhibitor; a member of biphenyls; pyridinecarboxamide; monochlorobenzenes; anilide fungicide; environmental contaminant; a xenobiotic; antifungal agrochemical",
"molecular_formula": "C18H12Cl2N2O",
"molecular_weight": "343.2",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "213013",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [
"T002007"
],
"function": [
"F020103"
],
"references": [
"RC01127"
]
},
{
"compound_ID": "D0527",
"name": "fluopyram",
"synonyms": "Fluopyram; 658066-35-4; UNII-F0VT7K5302; CHEBI:83070; F0VT7K5302; N-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethyl]-2-(trifluoromethyl)benzamide; n-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-2-trifluoromethylbenzamide; N-{2-(3-chloro-5-(trifluoromethyl)-2-pyridyl)ethyl}-alpha,alpha,alpha-trifluoro-o-toluamide; N-{2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethyl}-2-(trifluoromethyl)benzamide; Fluopyram [ISO]; Luna; N-{2-[3-chloro-5-(trifluoromethyl)-2-pyridyl]ethyl}-alpha,alpha,alpha-trifluoro-o-toluamide; AE C656948; SCHEMBL67230; CHEMBL2286755; DTXSID9058151; KVDJTXBXMWJJEF-UHFFFAOYSA-N; ZINC34431012; AKOS027323805; N-[2-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-2-(trifluoromethyl)benzamide; HY-119459; CS-0068436; Fluopyram, PESTANAL(R), analytical standard; Q15632704; N-{2-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]ethyl}-2-(trifluoromethyl)benzene-1-carboximidic acid;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C16H11ClF6N2O",
"molecular_weight": "396.71",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "11158353",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T002007"
],
"function": [
"F020103"
],
"references": [
"RC01128"
]
},
{
"compound_ID": "D0528",
"name": "dinitrophenol-17",
"synonyms": "",
"trade_name": "",
"abbrev_name": "",
"description": "dinitrophenol derivatives",
"molecular_formula": "X",
"molecular_weight": "X",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "X",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Others",
"drug_type": "",
"target": [
"T002007"
],
"function": [
"F020103"
],
"references": [
"RC01129"
]
},
{
"compound_ID": "D0529",
"name": "thiophene carboxamides",
"synonyms": "",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "X",
"molecular_weight": "X",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "X",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Others",
"drug_type": "",
"target": [
"T002007"
],
"function": [
"F020103"
],
"references": [
"RC01131"
]
},
{
"compound_ID": "D0530",
"name": "HQNO",
"synonyms": "hqno; 2-heptyl-4-hydroxyquinoline n-oxide; HOQNO; 2-Heptyl-4-quinolinol 1-oxide; 341-88-8; 2-heptylquinolin-4-ol 1-oxide; 2-(n-Heptyl)-4-hydroxyquinoline N-oxide; 2-HEPTYL-4-HYDROXYQUINOLINE-1-OXIDE; 2-HEPTYL-4-HYDROXY QUINOLINE N-OXIDE; 2-Heptyl-4-hydroxyquinoline-N-oxide; CHEBI:28362; 2-n-heptyl-4-hydroxyquinoline-N-oxide; Pyo II; UNII-1FU5S5CG6A; 2-Heptyl-4-hydroxyquinoline oxide; 2-HEPTYL-1-OXY-QUINOLIN-4-OL; KF 8940; BRN 1466419; 1FU5S5CG6A; SCHEMBL429766; CHEMBL1233401; SCHEMBL21065453; 1-hydroxy-2-heptyl-4-quinolone; CTK4H1880; DTXSID20955644; 4-Quinolinol,2-heptyl-, 1-oxide; ZINC1529909; 2-heptyl-4-hydroxyquinoline 1-oxide; 4-Quinolinol, 2-heptyl-, 1-oxide; ZINC28541300; DB07918; VQ10117; 2-Heptyl-1-hydroxyquinolin-4(1H)-one; 1-Hydroxy-2-heptylquinoline-4(1H)-one; ZINC000001529909; LS-142541; C04284; J-019483; Q27097153;",
"trade_name": "2-heptyl-4-hydroxyquinoline n-oxide",
"abbrev_name": "",
"description": "complex II inhibitor",
"molecular_formula": "C16H21NO2",
"molecular_weight": "259.34",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "1561",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [
"T002007"
],
"function": [
"F020103"
],
"references": [
"RC01132",
"RC03576"
]
},
{
"compound_ID": "D0531",
"name": "nanaomycin a",
"synonyms": "Nanafrocin; Nanaomycin A; Rosanomycin A; Nanafrocine; Nanafrocinum; 52934-83-5; Nanomycin A; UNII-8XBV72641V; CHEBI:48202; (1S,3R)-Nanaomycin A; 8XBV72641V; Nanafrocin [INN]; Nanafrocine [French]; Nanafrocinum [Latin]; Nanafrocina [Spanish]; Antibiotic OS 3966A; 1H-Naphtho[2,3-c]pyran-3-acetic acid, 3,4,5,10-tetrahydro-9-hydroxy-1-methyl-5,10-dioxo-(1S,3R)-; Nanafrocina; OS-3966-A; NSC 267461; [(1S,3R)-9-hydroxy-1-methyl-5,10-dioxo-3,4,5,10-tetrahydro-1H-benzo[g]isochromen-3-yl]acetic acid; [(1S,3R)-9-hydroxy-1-methyl-5,10-dioxo-3,4,5,10-tetrahydro-1H-naphtho[2,3-c]pyran-3-yl]acetic acid; SCHEMBL2111571; CHEMBL2106789; CTK1G9718; (1S,3R)-3,4,5,10-Tetrahydro-9-hydroxy-1-methyl-5,10-dioxo-1H-naphtho-(2,3-c)pyran-3-acetic acid; 1H-Naphtho(2,3-c)pyran-3-acetic acid, 3,4,5,10-tetrahydro-9-hydroxy-1-methyl-5,10-dioxo-, (1S-E)-; ZINC1559602; BDBM50075103; C10377; Q27104606; 1H-Naphtho[2,3-c]pyran-3-acetic acid,3,4,5,10-tetrahydro-9-hydroxy-1-methyl-5,10-dioxo-(1S,3R)-; 1H-Naphtho[2,3-c]pyran-3-aceticacid, 3,4,5,10-tetrahydro-9-hydroxy-1-methyl-5,10-dioxo-, (1S,3R)-; 2-((1S,3R)-9-hydroxy-1-methyl-5,10-dioxo-3,4,5,10-tetrahydro-1H-benzo[g]isochromen-3-yl)acetic acid;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C16H14O6",
"molecular_weight": "302.28",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "442757",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T001",
"T101"
],
"function": [
"F020103",
"F0203"
],
"references": [
"RC01135",
"RC01137"
]
},
{
"compound_ID": "D0532",
"name": "siccanin",
"synonyms": "siccanin; UNII-L702S858Z6; 22733-60-4; L702S858Z6; Sicanina; Siccanine; Siccaninum; Siccanin [INN:JAN]; Sicanina [INN-Spanish]; Siccanine [INN-French]; Siccaninum [INN-Latin]; NSC 135048; CHEMBL3989494; CHEBI:32128; Q27282791; (13aS)-1,2,3,4,4abeta,5,6,6a,11bbeta,13bbeta-Decahydro-4,4,6abeta,9-tetramethyl-13H-benzo(a)furo(2,3,4-mn)xanthen-11-ol; 13H-Benzo(a)furo(2,3,4-mn)xanthen-11-ol, 1,2,3,4,4a,5,6,6a,11b,13b-decahydro-4,4,6a,9-tetramethyl-, (4aS-(4aalpha,6aalpha,11balpha,13aR*,13balpha))-;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C22H30O3",
"molecular_weight": "342.5",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "71902",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T002007"
],
"function": [
"F020103"
],
"references": [
"RC01138"
]
},
{
"compound_ID": "D0533",
"name": "cyenopyrafen",
"synonyms": "Cyenopyrafen; 560121-52-0; UNII-1S67W8BOU3; 1S67W8BOU3; CHEBI:81820; Cyenopyrafen [ISO]; cyenopyrafene; [(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,4,5-trimethylpyrazol-3-yl)ethenyl] 2,2-dimethylpropanoate; SCHEMBL26300; SCHEMBL728428; CHEMBL2287243; DTXSID7058127; APJLTUBHYCOZJI-VZCXRCSSSA-N; Cyenopyrafen 100 microg/mL in Acetonitrile; C18545; Q27155617; (E)-2-(4-(tert-Butyl)phenyl)-2-cyano-1-(1,3,4-trimethyl-1H-pyrazol-5-yl)vinyl pivalate; (E)-2-(4-tert-butylphenyl)-2-cyano-1-(1,3,4-trimethyl-1H-pyrazol-5-yl)vinyl pivalate; 2-(4-(tert-Butyl)phenyl)-2-cyano-1-(1,3,4-trimethyl-1H-pyrazol-5-yl)vinyl pivalate; (1E)-2-(4-tert-butylphenyl)-2-cyano-1-(1,3,4-trimethyl-1H-pyrazol-5-yl)ethenyl 2,2-dimethylpropanoate; (1E)-2-cyano-2-[4-(1,1-dimethylethyl)phenyl]-1-(1,3,4-trimethyl-1H-pyrazol-5-yl)ethenyl 2,2-dimethylpropanoate; (2E)-3-(2,2-dimethylpropanoyloxy)-2-(4-tert-butylphenyl)-3-(1,3,4-trimethylpyrazol-5-yl) acrylonitrile; (2E)-3-(2,2-dimethylpropanoyloxy)-2-(4-tert-butylphenyl)-3-(1,3,4-trimethylpyrazol-5-yl)acrylonitrile; (E)-2-(4-tert-butylphenyl)-2-cyano-1-(1,3,4-trimethylpyrazol-5-yl)vinyl 2,2-dimethylpropionate; 268743-66-4;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C24H31N3O2",
"molecular_weight": "393.5",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "18772482",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T002007"
],
"function": [
"F020103"
],
"references": [
"RC01139"
]
},
{
"compound_ID": "D0534",
"name": "pyflubumide",
"synonyms": "Pyflubumide; UNII-1R9ASD3OPW; 1R9ASD3OPW; 926914-55-8; Pyflubumide [ISO]; SCHEMBL13726404; CHEBI:133137; Q27896188; 1,3,5-trimethyl-N-(2-methyl-1-oxopropyl)-N-[3-(2-methylpropyl)-4-[2,2,2-trifluoro-1-methoxy-1-(trifluoromethyl)ethyl]phenyl]-1H-pyrazole-4-carboxamide; 1H-Pyrazole-4-carboxamide, 1,3,5-trimethyl-N-(2-methyl-1-oxopropyl)-N-(3-(2-methylpropyl)-4-(2,2,2-trifluoro-1-methoxy-1-(trifluoromethyl)ethyl)phenyl)-; 3'-isobutyl-N-isobutyryl-1,3,5-trimethyl-4'-[2,2,2-trifluoro-1-methoxy-1-(trifluoromethyl)ethyl]pyrazole-4-carboxanilide; 3-Isobutyl-N-isobutyryl-1,3,5-trimethyl-4-(2,2,2-trifluoro-1-methoxy-1-(trifluoromethyl)ethyl)pyrazole-4-carboxanilide; N-(4-(1,1,1,3,3,3-Hexafluoro-2-methoxypropan-2-yl)-3-(2-methylpropyl)phenyl)-1,3,5-trimethyl-N-(2-methylpropanoyl)-1H-pyrazole-4-carboxamide; N-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-3-isobutylphenyl]-N-isobutyryl-1,3,5-trimethyl-1H-pyrazole-4-carboxamide;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C25H31F6N3O3",
"molecular_weight": "535.5",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "73777241",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T002007"
],
"function": [
"F020103"
],
"references": [
"RC01140"
]
},
{
"compound_ID": "D0535",
"name": "oxaloacetate",
"synonyms": "oxalacetic acid; oxaloacetic acid; 328-42-7; 2-Oxosuccinic acid; 2-Oxobutanedioic acid; oxaloacetate; Ketosuccinic acid; Oxosuccinic acid; Oxobutanedioic acid; 2-Ketosuccinic acid; Butanedioic acid, oxo-; Oxalacetic acetic; Butanedioic acid, 2-oxo-; 2-oxo-butanedioic acid; 2-Ketosuccinate; Oxaloethanoic acid; NSC 77688; UNII-2F399MM81J; keto-oxaloacetate; alpha-Ketosuccinic acid; EINECS 206-329-8; MFCD00002592; OAA; CHEBI:30744; KHPXUQMNIQBQEV-UHFFFAOYSA-N; 2F399MM81J; Oxalacetic acid, 98%; Ketosuccinate; Oxaloethanoate; OxalaceticAcid; a-Ketosuccinate; 2-Oxosuccinate; 4cts; alpha-Ketosuccinate; a-Ketosuccinic acid; Oxalacetic acid (8CI); ACMC-1CJK2; DSSTox_CID_1646; SCHEMBL8464; DSSTox_RID_76260; DSSTox_GSID_21646; 3-carboxy-3-oxopropanoic acid; C4H4O5; GTPL5236; Butanedioic acid, oxo- (9CI); CHEMBL1794791; DTXSID8021646; BDBM23230; CTK3I9736; BCP16299; KS-000011YG; NSC77688; ZINC1532521; Oxaloacetic acid, >=97% (HPLC); Tox21_201215; ANW-27468; LMFA01170120; NSC-77688; s6112; SBB065751; STL168038; AKOS000121850; CS-W011098; HY-W010382; MCULE-6059222019; RTR-032052; TRA0022646; NCGC00248960-01; NCGC00258767-01; AS-17361; CAS-328-42-7; SC-26830; U724; DB-048279; LS-182539; TR-032052; FT-0631962; O0072; EN300-28603; C00036; K-7601; O-5000; Q408658; J-650320; J-650383; F15D7D2F-5E37-4B87-A8D2-824D5097A4DE; Oxaloacetic acid, Hybri-Max(TM), powder, suitable for hybridoma; Oxaloacetic acid, powder, BioReagent, suitable for cell culture, suitable for insect cell culture, >=97% (HPLC);",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C4H4O5",
"molecular_weight": "132.07",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "970",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T002009"
],
"function": [
"F0203"
],
"references": [
"RC01143"
]
},
{
"compound_ID": "D0536",
"name": "malate",
"synonyms": "malic acid; DL-malic acid; 6915-15-7; 2-Hydroxybutanedioic acid; 2-Hydroxysuccinic acid; malate; 617-48-1; Butanedioic acid, hydroxy-; hydroxysuccinic acid; Kyselina jablecna; Deoxytetraric acid; hydroxybutanedioic acid; Pomalus acid; Malic acid, DL-; Musashi-no-Ringosan; alpha-Hydroxysuccinic acid; Hydroxybutandisaeure; dl-Hydroxybutanedioic acid; Caswell No. 537; Monohydroxybernsteinsaeure; Succinic acid, hydroxy-; R,S(+-)-Malic acid; 2-Hydroxyethane-1,2-dicarboxylic acid; Kyselina jablecna [Czech]; FDA 2018; (+-)-Malic acid; FEMA No. 2655; FEMA Number 2655; Kyselina hydroxybutandiova [Czech]; Malic acid [NF]; EPA Pesticide Chemical Code 051101; CCRIS 2950; CCRIS 6567; AI3-06292; HSDB 1202; EINECS 210-514-9; EINECS 230-022-8; NSC 25941; (-)-Malic acid; (+-)-Hydroxysuccinic acid; DL-2-hydroxybutanedioic acid; butanedioic acid, 2-hydroxy-; BUTANEDIOIC ACID, HYDROXY-, (S)-; MLS000084707; CHEBI:6650; (+/-)-2-Hydroxysuccinic acid; (+-)-1-Hydroxy-1,2-ethanedicarboxylic acid; Hydroxybutanedioic acid, (+-)-; BJEPYKJPYRNKOW-UHFFFAOYSA-N; NSC25941; Malic acid (NF); Malic acid, L-; (+/-)-HYDROXYSUCCINIC ACID; Hydroxysuccinate; MFCD00064212; NSC-25941; L-(-)-MalicAcid; Butanedioic acid, 2-hydroxy-, (2S)-; Hydroxybutanedioate; E296; SMR000019054; DSSTox_CID_7640; DL-Malic acid, 99+%; (R)-Hydroxybutanedioic acid; (S)-Hydroxybutanedioic acid; DSSTox_RID_78538; DSSTox_GSID_27640; Hydroxy Succinic Acid; R-Malic acid; Malicacid; Malicum acidum; Poly(malate); Malate homopolymer; Poly (L-malate); CAS-6915-15-7; Malic acid L-(-)-form; DL-hydroxysuccinic acid; Kyselina hydroxybutandiova; Aepfelsaeure; Deoxytetrarate; NSC 9232; NSC-9232; a-Hydroxysuccinate; DL-Malate; R,SMalate; R,SMalic acid; DL-Apple Acid; H2mal; Hydroxybutanedioic acid homopolymer; 2-Hydroxysuccinate; R,S-Malic acid; Racemic malic acid; R,S-Malate; alpha-Hydroxysuccinate; .+-.-Malic acid; a-Hydroxysuccinic acid; PubChem20057; (+/-)-Malic acid; Opera_ID_805; 2-hydroxyl-succinic acid; 17482-42-7; DL-Malic acid, 99%; MALIC ACID,(DL); 2-Hydroxydicarboxylic acid; SCHEMBL856; 2-hydroxy-butanedioic acid; bmse000046; bmse000904; EC 210-514-9; EC 230-022-8; Malic acid-, (L-form)-; ACMC-1B8G6; DL-Malic acid, >=99%; Oprea1_130558; Oprea1_624131; KSC353M3D; DL-HYDROXYSUCOINIC ACID; Butanedioic acid, (.+-.)-; DL(+/-)-MALIC ACID; GTPL2480; INS NO.296; 2-HYDROXY-SUCCINIC ACID; DL-HYROXYBUTANEDIOIC ACID; CHEMBL1455497; DTXSID0027640; BDBM92495; CTK2F3631; INS NO. 296; INS-296; DL-Malic acid, FCC, >=99%; HMS2358H06; HMS3371C13; 2-Hydroxyethane-1,2-dicarboxylate; DL-Malic acid, analytical standard; ACN-S004262; HY-Y1311; KS-00000X4Q; STR03457; Tox21_201536; Tox21_300372; ANW-43712; s9001; STL283959; AKOS000120085; AKOS017278471; (+/-)-HYDROXYBUTANEDIOIC ACID; AM81418; DB12751; LS-2394; MCULE-5852208511; RTR-037502; Butanedioic acid, hydroxy-, homopolymer; DL-Malic acid, ReagentPlus(R), 99%; NCGC00043225-02; NCGC00043225-03; NCGC00254259-01; NCGC00259086-01; 78644-42-5; AK-65243; AK-77850; AK-88657; DL-Malic acid, >=98% (capillary GC); LS-88709; SC-19305; SC-43909; SY003313; SY009804; DL-Malic acid, ReagentPlus(R), >=99%; 99-EP2269610A2; 99-EP2269983A1; 99-EP2269984A1; 99-EP2269986A1; 99-EP2269988A2; 99-EP2269989A1; 99-EP2269990A1; 99-EP2270006A1; 99-EP2270008A1; 99-EP2270011A1; 99-EP2270014A1; 99-EP2270505A1; 99-EP2272516A2; 99-EP2272827A1; 99-EP2272835A1; 99-EP2272844A1; 99-EP2275401A1; 99-EP2275404A1; 99-EP2275411A2; 99-EP2275413A1; 99-EP2277848A1; 99-EP2277858A1; 99-EP2281559A1; 99-EP2281563A1; 99-EP2281819A1; 99-EP2284160A1; 99-EP2284169A1; 99-EP2287155A1; 99-EP2287156A1; 99-EP2287160A1; 99-EP2287161A1; 99-EP2287162A1; 99-EP2289510A1; 99-EP2289879A1; 99-EP2289883A1; 99-EP2289890A1; 99-EP2292612A2; 99-EP2292617A1; 99-EP2292619A1; 99-EP2295401A2; 99-EP2295402A2; 99-EP2295406A1; 99-EP2295433A2; 99-EP2298731A1; 99-EP2298746A1; 99-EP2298747A1; 99-EP2298755A1; 99-EP2298757A2; 99-EP2298768A1; 99-EP2298772A1; 99-EP2298778A1; 99-EP2298779A1; 99-EP2301544A1; 99-EP2301922A1; 99-EP2301931A1; 99-EP2301937A1; 99-EP2301940A1; 99-EP2305219A1; 99-EP2305248A1; 99-EP2305257A1; 99-EP2305633A1; 99-EP2305641A1; 99-EP2305646A1; 99-EP2305651A1; 99-EP2305659A1; 99-EP2305663A1; 99-EP2305672A1; 99-EP2305673A1; 99-EP2305679A1; 99-EP2308839A1; 99-EP2308849A1; 99-EP2308850A1; 99-EP2308854A1; 99-EP2308857A1; 99-EP2308869A1; 99-EP2311809A1; 99-EP2311810A1; 99-EP2311811A1; 99-EP2311814A1; 99-EP2311818A1; 99-EP2311834A1; 99-EP2311842A2; 99-EP2314295A1; 99-EP2314574A1; 99-EP2314584A1; 99-EP2314585A1; 99-EP2314586A1; 99-EP2314588A1; 99-EP2316457A1; 99-EP2316458A1; 99-EP2316459A1; 99-EP2316825A1; 99-EP2316826A1; 99-EP2316827A1; 99-EP2316828A1; 99-EP2316831A1; 99-EP2371802A1; 99-EP2372017A1; AB1002000; DB-016133; DL-Malic acid, USP, 99.0-100.5%; TR-037502; CS-0017784; E 296; E-296; EU-0067046; FT-0625484; FT-0625485; FT-0625539; FT-0632189; M0020; ST24046654; DL-Malic acid, SAJ first grade, >=99.0%; A19426; C00711; C03668; D04843; DL-Malic acid, Vetec(TM) reagent grade, 98%; M-0825; 21177-EP2314295A1; 92310-EP2305257A1; AB00443952-12; Malic acid, meets USP/NF testing specifications; L023999; Q190143; Q-201028; 0C9A2DC0-FEA2-4864-B98B-0597CDD0AD06; F0918-0088; Z940713496; Malic acid, United States Pharmacopeia (USP) Reference Standard; DL-Hydroxysuccinic acid; DL-2-Hydroxybutanedioic acid; DL-Apple acid; Malic acid, Pharmaceutical Secondary Standard; Certified Reference Material; DL-Malic acid, meets analytical specification of FCC, E296, 99-100.5% (alkalimetric);",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C4H6O5",
"molecular_weight": "134.09",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "525",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T002009"
],
"function": [
"F0203"
],
"references": [
"RC01144"
]
},
{
"compound_ID": "D0537",
"name": "citrate",
"synonyms": "citric acid; 77-92-9; 2-hydroxypropane-1,2,3-tricarboxylic acid; Citric acid, anhydrous; Anhydrous citric acid; citrate; Citro; Citretten; Aciletten; Chemfill; Hydrocerol A; 1,2,3-Propanetricarboxylic acid, 2-hydroxy-; Kyselina citronova; 2-hydroxy-1,2,3-propanetricarboxylic acid; 2-Hydroxytricarballylic acid; Citric acid anhydrous; Caswell No. 221C; F 0001 (polycarboxylic acid); 3-Carboxy-3-hydroxypentane-1,5-dioic acid; 2-Hydroxypropanetricarboxylic acid; beta-Hydroxytricarballylic acid; FEMA No. 2306; FEMA Number 2306; K-Lyte; Kyselina citronova [Czech]; K-Lyte DS; CCRIS 3292; HSDB 911; EPA Pesticide Chemical Code 021801; Uro-trainer; AI3-06286; UNII-XF417D3PSL; Citric acid [USAN:JAN]; Suby G; NSC 30279; NSC 626579; BRN 0782061; EINECS 201-069-1; MFCD00011669; C6H8O7; CHEMBL1261; XF417D3PSL; Kyselina 2-hydroxy-1,2,3-propantrikarbonova [Czech]; Kyselina 2-hydroxy-1,2,3-propantrikarbonova; CHEBI:30769; .beta.-Hydroxytricarballylic acid; KRKNYBCHXYNGOX-UHFFFAOYSA-N; citr; NSC30279; NSC-30279; NSC626579; NSC-626579; Citrate Ion; Citric acid, 99%; NCGC00090954-03; E330; DSSTox_CID_332; E 330; CITRATE ANION; DSSTox_RID_75520; DSSTox_GSID_20332; Neodymium chloride citrate; Neodymium citrate chloride; Citricacid; Citric acid, 99%, pure, anhydrous; 2-hydroxy-1,2,3-propanetricarboxylic; Uralyt U; CAS-77-92-9; 1,3-Propanetricarboxylic acid, 2-hydroxy-; Citric acid, 99.5%, for analysis, anhydrous; NSC-112226; Citraclean; Citronensaeure; Citralite; citric-acid; Anhydrous citrate; 2fwp; 4aci; 4nrm; H3cit; Citric acid, anhydrous [USP:JAN]; Citric Acid,(S); Citric acid,anhydrous; Citric acid (8CI); K-Lyte (Salt/Mix); PubChem20283; 1i2s; 1o4l; 1rq2; 1y4a; 2bo4; 2c4v; 2fw6; 4to8; Citraclean (Salt/Mix); ACMC-209pcr; Citric Acid (Anhydrous); 10024-66-5; 1185-57-5; 119851-23-9; 120156-45-8; 5077-53-2; Spectrum3_001850; WLN: QV1XQVQ1VQ; beta-Hydroxytricarballylate; cid_311; K-Lyte/Cl (Salt/Mix); K-Lyte DS (Salt/Mix); bmse000076; HOC(CH2COOH)2COOH; EC 201-069-1; NCIStruc1_000057; NCIStruc2_000099; NCIOpen2_004062; NCIOpen2_004502; Oprea1_502996; BSPBio_003240; Citric acid anhydrous (JAN); 4-03-00-01272 (Beilstein Handbook Reference); Citric Acid, anhydrous, USP; KSC273E4P; MLS001066346; citric acid (Fragrance Grade); Citric acid, anhydrous (USP); Anhydrous citric acid (JP17); GTPL2478; INS NO.330; Citric Acid (Industrial Grade); Citric acid, analytical standard; DTXSID3020332; BDBM14672; Citric acid, p.a., 99.5%; CTK1H3247; KBio3_002740; INS-330; 4o61; HMS1787N01; HMS2268B04; Pharmakon1600-01300013; ZINC895081; Citric acid 50% solution in water; HY-N1428; KS-00000V8J; STR12052; 1,2,3-Tricarboxy-2-hydroxypropane; Tox21_113436; Tox21_202405; Tox21_300124; ANW-37129; ANW-44011; BBL002530; NSC759606; s5761; SBB008922; STK286098; AKOS000119911; Citric acid, LR, anhydrous, >=99%; 2-hydroxy-1,2,3-propanetricarboxylate; CS-6965; DB04272; LS-3185; MCULE-7981253226; NE10694; NSC-759606; RTR-020636; 3-Carboxy-3-hydroxypentane-1,5-dioate; Citric acid, >=99.5%, FCC, FG; Citric acid, ACS reagent, >=99.5%; Citric Acid, anhydrous powder, A.C.S.; 2-Hydroxy-1,3-propanetricarboxylic acid; NCGC00090954-01; NCGC00090954-02; NCGC00090954-04; NCGC00090954-05; NCGC00254055-01; NCGC00259954-01; AK116143; BP-31028; Citric Acid, anhydrous granular, A.C.S.; LS-96070; NCI60_022579; SC-43865; SMR000471840; 2-hydroxy-1,2,3-propanetricarboxyic acid; SBI-0206765.P001; AB1002470; Citric acid, SAJ first grade, >=99.5%; TR-020636; 2-Hydroxy-1,2,3-propane tricarboxylic acid; 2-Hydroxy-1,2,3-propanenetricarboxylic acid; B7297; C1949; Citric Acid, Aqueous Solution (Food Grade); Citric acid, Vetec(TM) reagent grade, 99%; E-330; FT-0623957; FT-0728530; ST50308093; T8019; Citric acid, 99.6%, ACS reagent, anhydrous; 1466-EP2269610A2; 1466-EP2269986A1; 1466-EP2269988A2; 1466-EP2269989A1; 1466-EP2269990A1; 1466-EP2270002A1; 1466-EP2270003A1; 1466-EP2270006A1; 1466-EP2270008A1; 1466-EP2270011A1; 1466-EP2270017A1; 1466-EP2270505A1; 1466-EP2272516A2; 1466-EP2272537A2; 1466-EP2272817A1; 1466-EP2272822A1; 1466-EP2272825A2; 1466-EP2272827A1; 1466-EP2272832A1; 1466-EP2272834A1; 1466-EP2272841A1; 1466-EP2272843A1; 1466-EP2275102A1; 1466-EP2275105A1; 1466-EP2275401A1; 1466-EP2275403A1; 1466-EP2275404A1; 1466-EP2275410A1; 1466-EP2275411A2; 1466-EP2275412A1; 1466-EP2275413A1; 1466-EP2275414A1; 1466-EP2277507A1; 1466-EP2277848A1; 1466-EP2277858A1; 1466-EP2277866A1; 1466-EP2277867A2; 1466-EP2280000A1; 1466-EP2280001A1; 1466-EP2280003A2; 1466-EP2280004A1; 1466-EP2280009A1; 1466-EP2280010A2; 1466-EP2280012A2; 1466-EP2280020A1; 1466-EP2280021A1; 1466-EP2281559A1; 1466-EP2281563A1; 1466-EP2281813A1; 1466-EP2281816A1; 1466-EP2281817A1; 1466-EP2281818A1; 1466-EP2281819A1; 1466-EP2281820A2; 1466-EP2281823A2; 1466-EP2284149A1; 1466-EP2284160A1; 1466-EP2284169A1; 1466-EP2284178A2; 1466-EP2284179A2; 1466-EP2286795A1; 1466-EP2286811A1; 1466-EP2287153A1; 1466-EP2287155A1; 1466-EP2287156A1; 1466-EP2287160A1; 1466-EP2287161A1; 1466-EP2287162A1; 1466-EP2287165A2; 1466-EP2287166A2; 1466-EP2287167A1; 1466-EP2289509A2; 1466-EP2289510A1; 1466-EP2289518A1; 1466-EP2289876A1; 1466-EP2289879A1; 1466-EP2289883A1; 1466-EP2289887A2; 1466-EP2289888A2; 1466-EP2289890A1; 1466-EP2289893A1; 1466-EP2292227A2; 1466-EP2292228A1; 1466-EP2292231A1; 1466-EP2292233A2; 1466-EP2292234A1; 1466-EP2292592A1; 1466-EP2292593A2; 1466-EP2292611A1; 1466-EP2292612A2; 1466-EP2292615A1; 1466-EP2292617A1; 1466-EP2292619A1; 1466-EP2292620A2; 1466-EP2292621A1; 1466-EP2292622A1; 1466-EP2292628A2; 1466-EP2295053A1; 1466-EP2295401A2; 1466-EP2295402A2; 1466-EP2295406A1; 1466-EP2295407A1; 1466-EP2295408A1; 1466-EP2295410A1; 1466-EP2295412A1; 1466-EP2295413A1; 1466-EP2295414A1; 1466-EP2295415A1; 1466-EP2295416A2; 1466-EP2295418A1; 1466-EP2295424A1; 1466-EP2295426A1; 1466-EP2295427A1; 1466-EP2295432A1; 1466-EP2295433A2; 1466-EP2295437A1; 1466-EP2298731A1; 1466-EP2298734A2; 1466-EP2298735A1; 1466-EP2298736A1; 1466-EP2298742A1; 1466-EP2298744A2; 1466-EP2298746A1; 1466-EP2298747A1; 1466-EP2298748A2; 1466-EP2298750A1; 1466-EP2298751A2; 1466-EP2298754A1; 1466-EP2298755A1; 1466-EP2298757A2; 1466-EP2298758A1; 1466-EP2298759A1; 1466-EP2298767A1; 1466-EP2298768A1; 1466-EP2298772A1; 1466-EP2298775A1; 1466-EP2298776A1; 1466-EP2298778A1; 1466-EP2298779A1; 1466-EP2301536A1; 1466-EP2301538A1; 1466-EP2301544A1; 1466-EP2301922A1; 1466-EP2301923A1; 1466-EP2301925A1; 1466-EP2301928A1; 1466-EP2301929A1; 1466-EP2301930A1; 1466-EP2301931A1; 1466-EP2301933A1; 1466-EP2301934A1; 1466-EP2301935A1; 1466-EP2301936A1; 1466-EP2301937A1; 1466-EP2301939A1; 1466-EP2301940A1; 1466-EP2301941A1; 1466-EP2305219A1; 1466-EP2305248A1; 1466-EP2305250A1; 1466-EP2305257A1; 1466-EP2305633A1; 1466-EP2305636A1; 1466-EP2305641A1; 1466-EP2305646A1; 1466-EP2305651A1; 1466-EP2305652A2; 1466-EP2305653A1; 1466-EP2305655A2; 1466-EP2305657A2; 1466-EP2305659A1; 1466-EP2305663A1; 1466-EP2305664A1; 1466-EP2305666A1; 1466-EP2305668A1; 1466-EP2305672A1; 1466-EP2305673A1; 1466-EP2305674A1; 1466-EP2305675A1; 1466-EP2305682A1; 1466-EP2305683A1; 1466-EP2305684A1; 1466-EP2305687A1; 1466-EP2305808A1; 1466-EP2308479A2; 1466-EP2308492A1; 1466-EP2308510A1; 1466-EP2308562A2; 1466-EP2308812A2; 1466-EP2308828A2; 1466-EP2308838A1; 1466-EP2308839A1; 1466-EP2308849A1; 1466-EP2308850A1; 1466-EP2308851A1; 1466-EP2308854A1; 1466-EP2308857A1; 1466-EP2308861A1; 1466-EP2308869A1; 1466-EP2308871A1; 1466-EP2308872A1; 1466-EP2308873A1; 1466-EP2308875A1; 1466-EP2308877A1; 1466-EP2308879A1; 1466-EP2311455A1; 1466-EP2311494A1; 1466-EP2311807A1; 1466-EP2311808A1; 1466-EP2311809A1; 1466-EP2311810A1; 1466-EP2311811A1; 1466-EP2311814A1; 1466-EP2311818A1; 1466-EP2311820A1; 1466-EP2311821A1; 1466-EP2311822A1; 1466-EP2311823A1; 1466-EP2311824A1; 1466-EP2311827A1; 1466-EP2311829A1; 1466-EP2311830A1; 1466-EP2311831A1; 1466-EP2311834A1; 1466-EP2311837A1; 1466-EP2311839A1; 1466-EP2311840A1; 1466-EP2311842A2; 1466-EP2311850A1; 1466-EP2314574A1; 1466-EP2314575A1; 1466-EP2314576A1; 1466-EP2314577A1; 1466-EP2314584A1; 1466-EP2314585A1; 1466-EP2314586A1; 1466-EP2314587A1; 1466-EP2314589A1; 1466-EP2314593A1; 1466-EP2316457A1; 1466-EP2316458A1; 1466-EP2316459A1; 1466-EP2316470A2; 1466-EP2316824A1; 1466-EP2316825A1; 1466-EP2316826A1; 1466-EP2316827A1; 1466-EP2316828A1; 1466-EP2316829A1; 1466-EP2316831A1; 1466-EP2316832A1; 1466-EP2316833A1; 1466-EP2316834A1; 1466-EP2316835A1; 1466-EP2316836A1; 1466-EP2316837A1; 1466-EP2316974A1; 1466-EP2371799A1; 1466-EP2371802A1; 1466-EP2371811A2; 1466-EP2371814A1; 1466-EP2372017A1; 1466-EP2374454A1; 1466-EP2374526A1; 1466-EP2374780A1; 1466-EP2374781A1; 1466-EP2374790A1; 1466-EP2374895A1; 1466-EP2377510A1; 1466-EP2377848A1; 1466-EP2380568A1; C00158; D00037; 111855-EP2295439A1; 111855-EP2298761A1; AE-562/40806920; Citric acid, BioUltra, anhydrous, >=99.5% (T); IRRIGATING SOLUTION G IN PLASTIC CONTAINER; Q159683; J-520099; 1,2,3-Propanetricarboxylic acid, 2-hydroxy- (9CI); Z56754862; Citric acid, certified reference material, TraceCERT(R); Citric acid, meets USP testing specifications, anhydrous; F2191-0222; 8F5D336A-442D-434A-9FB0-E400FF74E343; Citrate standard for IC, 1000 mg/L, analytical standard; 1,2,3-PROPANETRICARBOXYLIC ACID,2-HYDROXY (CITRIC ACID); Citric acid, United States Pharmacopeia (USP) Reference Standard; Citric acid, anhydrous, cell culture tested, plant cell culture tested; Citric acid, anhydrous, European Pharmacopoeia (EP) Reference Standard; Citric acid, anhydrous, free-flowing, Redi-Dri(TM), ACS reagent, >=99.5%; Citric acid, for molecular biology, anhydrous, Rnase and Protease free; Citric acid, Anhydrous, Pharmaceutical Secondary Standard; Certified Reference Material; Citric acid, meets analytical specification of Ph. Eur., BP, USP, E330, anhydrous, 99.5-100.5% (based on anhydrous substance); InChI=1/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C6H8O7",
"molecular_weight": "192.12",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "311",
"classification": "A",
"indications": "",
"side_effects": "",
"atc_codes": "A09AB04",
"group": "Compound",
"drug_type": "",
"target": [
"T002009",
"T387"
],
"function": [
"F010401",
"F0108",
"F0203",
"F0504"
],
"references": [
"RC01145",
"RC04642",
"RC04645",
"RC04648"
]
},
{
"compound_ID": "D0538",
"name": "fumarate",
"synonyms": "fumarate; Fumarate(2-); (2E)-but-2-enedioate; 142-42-7; (E)-2-Butenedioate; (E)-Butenedioic acid; Fumarate dianion; Fumerate; but-2-enedioate; 2-Butenedioic acid (E)-, ion(2-); Fumaric acid, ion(2-); DTXSID9037660; CHEBI:29806; CHEBI:36180; VZCYOOQTPOCHFL-OWOJBTEDSA-L; trans-1,2-Ethenedicarboxylic acid; (E)-1,2-Ethylenedicarboxylic acid; (E)-2-butenedioic acid, ion(2-); trans-1,2-Ethylenediccarboxylic acid; 3861-EP2269977A2; 3861-EP2269978A2; 3861-EP2269985A2; 3861-EP2269991A2; 3861-EP2269992A1; 3861-EP2269993A1; 3861-EP2270004A1; 3861-EP2270006A1; 3861-EP2270007A1; 3861-EP2270008A1; 3861-EP2272817A1; 3861-EP2272835A1; 3861-EP2272841A1; 3861-EP2272844A1; 3861-EP2272847A1; 3861-EP2275102A1; 3861-EP2275412A1; 3861-EP2275418A1; 3861-EP2275420A1; 3861-EP2277861A1; 3861-EP2277875A2; 3861-EP2277876A1; 3861-EP2277877A1; 3861-EP2279741A2; 3861-EP2279750A1; 3861-EP2280008A2; 3861-EP2280010A2; 3861-EP2281559A1; 3861-EP2281815A1; 3861-EP2281818A1; 3861-EP2281819A1; 3861-EP2281824A1; 3861-EP2283811A1; 3861-EP2284150A2; 3861-EP2284151A2; 3861-EP2284152A2; 3861-EP2284153A2; 3861-EP2284155A2; 3861-EP2284156A2; 3861-EP2284164A2; 3861-EP2284169A1; 3861-EP2284170A1; 3861-EP2284171A1; 3861-EP2284172A1; 3861-EP2284178A2; 3861-EP2284179A2; 3861-EP2287140A2; 3861-EP2287148A2; 3861-EP2287150A2; 3861-EP2287161A1; 3861-EP2287162A1; 3861-EP2287167A1; 3861-EP2289868A1; 3861-EP2289871A1; 3861-EP2289876A1; 3861-EP2289891A2; 3861-EP2292227A2; 3861-EP2292234A1; 3861-EP2292590A2; 3861-EP2292595A1; 3861-EP2292613A1; 3861-EP2292614A1; 3861-EP2292617A1; 3861-EP2292619A1; 3861-EP2295406A1; 3861-EP2295412A1; 3861-EP2295413A1; 3861-EP2295416A2; 3861-EP2295419A2; 3861-EP2295424A1; 3861-EP2295425A1; 3861-EP2295426A1; 3861-EP2295427A1; 3861-EP2295430A2; 3861-EP2295431A2; 3861-EP2295432A1; 3861-EP2295437A1; 3861-EP2295439A1; 3861-EP2295550A2; 3861-EP2298313A1; 3861-EP2298732A1; 3861-EP2298734A2; 3861-EP2298735A1; 3861-EP2298748A2; 3861-EP2298764A1; 3861-EP2298765A1; 3861-EP2298768A1; 3861-EP2298772A1; 3861-EP2298775A1; 3861-EP2298777A2; 3861-EP2298778A1; 3861-EP2300473A2; 3861-EP2301534A1; 3861-EP2301912A2; 3861-EP2301913A1; 3861-EP2301914A1; 3861-EP2301916A2; 3861-EP2301922A1; 3861-EP2305219A1; 3861-EP2305260A1; 3861-EP2305637A2; 3861-EP2305640A2; 3861-EP2305643A1; 3861-EP2305659A1; 3861-EP2305660A1; 3861-EP2305666A1; 3861-EP2305671A1; 3861-EP2305673A1; 3861-EP2305680A2; 3861-EP2305683A1; 3861-EP2308509A1; 3861-EP2308562A2; 3861-EP2308812A2; 3861-EP2308828A2; 3861-EP2308832A1; 3861-EP2308838A1; 3861-EP2308839A1; 3861-EP2308844A2; 3861-EP2308845A2; 3861-EP2308846A2; 3861-EP2308861A1; 3861-EP2308863A1; 3861-EP2308872A1; 3861-EP2308873A1; 3861-EP2308875A1; 3861-EP2308960A1; 3861-EP2311451A1; 3861-EP2311796A1; 3861-EP2311797A1; 3861-EP2311798A1; 3861-EP2311799A1; 3861-EP2311818A1; 3861-EP2311821A1; 3861-EP2311825A1; 3861-EP2311831A1; 3861-EP2311834A1; 3861-EP2311835A1; 3861-EP2311837A1; 3861-EP2311839A1; 3861-EP2311841A1; 3861-EP2311842A2; 3861-EP2314295A1; 3861-EP2314578A1; 3861-EP2314584A1; 3861-EP2314589A1; 3861-EP2316450A1; 3861-EP2316470A2; 3861-EP2316829A1; 3861-EP2316832A1; 3861-EP2316833A1; 3861-EP2316834A1; 3861-EP2316835A1; 3861-EP2316836A1; 3861-EP2316837A1; 3861-EP2371811A2; 3861-EP2374454A1; Q28529698;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C4H2O4-2",
"molecular_weight": "114.06",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "5460307",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T002009"
],
"function": [
"F0203"
],
"references": [
"RC01146"
]
},
{
"compound_ID": "D0539",
"name": "british anti-lewisite",
"synonyms": "DIMERCAPROL; 2,3-Dimercapto-1-propanol; 59-52-9; 2,3-Dimercaptopropanol; Dithioglycerine; Sulfactin; Dicaptol; dimercaptopropanol; 2,3-Dithiopropanol; British Anti-Lewisite; 1,2-Dithioglycerol; British antilewisite; 1-Propanol, 2,3-dimercapto-; Antoxol; Dimersol; Panobal; BAL in Oil; 1,2-Dimercapto-3-propanol; Dimercaprol propanol; Dimercaprolum; Dithioglycerol; 2,3-Dimercaptol-1-propanol; Usaf me-1; 3-Hydroxy-1,2-propanedithiol; BAL; alpha,beta-Dithioglycerol; Dimerkaprol; 2,3-Mercaptopropanol; 2,3-Dimercaptopropan-1-ol; Glycerol, 1,2-dithio-; Sulfactin (VAN); Dimerkaprol [Czech]; Dimercaprolo [DCIT]; Dithioglycerol (VAN); 2,3-bis(sulfanyl)propan-1-ol; Dimercaptopropanol (VAN); DMP (VAN); 2,3-Mercaptopropan-1-ol; Dimercaprolum [INN-Latin]; NSC 4646; 2,3-disulfanylpropan-1-ol; NSC 39515; C3H8OS2; CCRIS 3616; CHEBI:64198; HSDB 4004; EINECS 200-433-7; BRN 1732058; Dimercaptol; 1-Propanol, 2,3-dimercapto; .alpha.,.beta.-Dithioglycerol; AI3-61820; NSC4646; WQABCVAJNWAXTE-UHFFFAOYSA-N; Glycerol,2-dithio-; MFCD00004864; WLN: SH1YSH1Q; 1-Propanol,3-dimercapto-; W-105317; Dimercaprolo; 2,3-Dimercapro; NSC16865; 2,3-Dimercapto-1-propanol, 97.0-100.5%; dithiopropanol; Dimercaprol [INN:BAN:JAN]; Anti-Lewisite; Dimercaprol [USP:INN:BAN:JAN]; Spectrum_001965; ACMC-1AQYA; 2, 3-dimercaptopropanol; Spectrum2_001218; Spectrum4_001275; Spectrum5_001622; BAL (TN); CHEMBL1597; DSSTox_CID_20461; DSSTox_RID_79496; DSSTox_GSID_40461; SCHEMBL15969; KBioGR_001890; KBioSS_002524; 2,3 -dimercapto-1-propanol; 2,3-dimercapto-propan-1-ol; 4-01-00-02770 (Beilstein Handbook Reference); DivK1c_000997; SPBio_001036; 2,3-Disulfanyl-1-propanol #; Dimercaprol (JP17/USP/INN); DTXSID5040461; CTK3J1382; HMS503G15; KBio1_000997; KBio2_002516; KBio2_005084; KBio2_007652; NINDS_000997; Pharmakon1600-01500252; BCP18145; HY-B1285; NSC-4646; NSC39515; Tox21_110014; ANW-33288; BDBM50103608; CCG-39156; NSC-39515; NSC760094; AKOS015895110; DB06782; FCH1115700; NSC-760094; RTR-037211; TRA0055820; CAS-59-52-9; IDI1_000997; NCGC00013216-01; CC-26872; NCI60_001345; SBI-0051351.P002; DB-053404; LS-122148; TR-037211; CS-0013059; D0621; FT-0625021; C02924; D00167; AB00051971_02; 004D864; 2,3-Dimercapto-1-propanol, >=98% (iodometric); C-00943; Q413968; SR-05000001839; SR-05000001839-1; InChI=1/C3H8OS2/c4-1-3(6)2-5/h3-6H,1-2H;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C3H8OS2",
"molecular_weight": "124.23",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "3080",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T001064"
],
"function": [
"F020103"
],
"references": [
"RC01147"
]
},
{
"compound_ID": "D0540",
"name": "moas",
"synonyms": "",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "X",
"molecular_weight": "X",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "X",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Others",
"drug_type": "",
"target": [
"T004012"
],
"function": [
"F020103"
],
"references": [
"RC01149"
]
},
{
"compound_ID": "D0541",
"name": "azoxystrobin",
"synonyms": "Azoxystrobin; 131860-33-8; Amistar; Bankit; Heritage; Quadris; Icia-5504; UNII-NYH7Y08IPM; HSDB 7017; TCMDC-125883; ICI-A 5504; NYH7Y08IPM; EINECS Annex I Index 607-256-00-X; CHEBI:40909; WFDXOXNFNRHQEC-GHRIWEEISA-N; C22H17N3O5; NCGC00163818-04; methyl (2E)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-3-methoxyprop-2-enoate; Methyl (E)-2-(2-(6-(2-cyanopheoxy)pyrimidin-4-yloxy)phenyl)-3-methoxypropenoate; methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxy-prop-2-enoate; methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yloxy]phenyl]-3-methoxyacrylate; Benzeneacetic acid, 2-((6-(2-cyanophenoxy)-4-pyrimidinyl)oxy)-alpha-(methoxymethylene)-, methyl ester, (E)-; methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate; (alphaE)-2-[[6-(2-cyanophenoxy)-4-pyrimidinyl]oxy]-alpha-(methoxymethylene) benzeneacetic acid methyl ester; Benzeneacetic acid, 2-[[6-(2-cyanophenoxy)-4-pyrimidinyl]oxy]-alpha-(methoxymethylene)-, methyl ester, (alphaE)-; Azoxystrobin [ISO]; METHYL (2Z)-2-(2-{[6-(2-CYANOPHENOXY)PYRIMIDIN-4-YL]OXY}PHENYL)-3-METHOXYACRYLATE; Icia 5504; Azoxystrobine x; 1sqb; methyl (2E)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-3-methoxyacrylate; methyl (E)-2-{2-[6-(2-cyanophenoxy)pyrimidin-4-yloxy]phenyl}-3-methoxyacrylate; 215934-32-0; Benzeneacetic acid, 2-((6-(2-cyanophenoxy)-4-pyrimidinyl)oxy)-alpha-(methoxymethylene)-, methyl ester, (alphaE)-; DSSTox_CID_12520; DSSTox_RID_78966; DSSTox_GSID_32520; SCHEMBL18823; SCHEMBL55087; BEN380; CHEMBL230001; DTXSID0032520; DNDI1511705; Tox21_400087; ZINC13827839; AKOS015900562; DB07401; KS-5365; Azoxystrobin 100 microg/mL in Methanol; NCGC00163818-01; NCGC00163818-02; NCGC00163818-03; NCGC00163818-05; AC-24498; Azoxystrobin 10 microg/mL in Cyclohexane; Azoxystrobin 1000 microg/mL in Methanol; LS-28710; O662; SC-24628; AB0016582; CAS-131860-33-8; C18558; J90052; K-4132; Azoxystrobin, PESTANAL(R), analytical standard; 860A338; A806322; C-21771; J-006072; J-519625; Q2013860; Azoxystrobin, certified reference material, TraceCERT(R); (E)-methyl 2-(2-(6-(2-cyanophenoxy)pyrimidin-4-yloxy)phenyl)-3-methoxyacrylate; (E)-methyl 2-[2-(6- (2-cyanophenoxy)pyrimidin-4-yloxy)phenyl]-3-methoxypropenoate; (E)-methyl 2-[2-(6-(2-cyanophenoxy)pyrimidin-4-yloxy)pheny]-3-methoxypropenoate; (E)-methyl 2-[2-(6-(2-cyanophenoxy)pyrimidin-4-yloxy)phenyl]-3-methoxypropenoate; Methyl (2E)-2-(2-{[6-(2-cyanophenoxy)-4-pyrimidinyl]oxy}phenyl)-3-methoxyacrylate; methyl (E)-2-{2-[6-(2-cyano-phenoxy)pyrimidin-4-yloxy]phenyl}-3-methoxyacrylate; (E)-2-[2-[[6-(2-cyanophenoxy)-4-pyrimidinyl]oxy]phenyl]-3-methoxy-2-propenoic acid methyl ester; Benzeneacetic acid, 2-[[6-(2-cyanophenoxy)-4-pyrimidinyl]oxy]-|A-(methoxymethylene)-, methyl ester, (|AE)-;",
"trade_name": "",
"abbrev_name": "",
"description": "broad spectrum systemic fungicide",
"molecular_formula": "C22H17N3O5",
"molecular_weight": "403.4",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "3034285",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T004",
"T004012"
],
"function": [
"F020103",
"F020403"
],
"references": [
"RC01150",
"RC01154",
"RC04911"
]
},
{
"compound_ID": "D0542",
"name": "oudemansin a",
"synonyms": "Oudemansin A; Oudemansin; 73341-71-6; (-)-oudemansin A; CHEMBL1094279; 5-Hexenoic acid, 4-methoxy-2-(methoxymethylene)-3-methyl-6-phenyl-, methyl ester, (2E,3R*,4R*,5E)-(-)-; Q16979497; 5-Hexenoic acid, 4-methoxy-2-(methoxymethylene)-3-methyl-6-phenyl-, methyl ester, (S-(R*,R*-(E,E)))-;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C17H22O4",
"molecular_weight": "290.4",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "6438712",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T004012"
],
"function": [
"F020103"
],
"references": [
"RC01151"
]
},
{
"compound_ID": "D0543",
"name": "strobilurin a",
"synonyms": "Mucidin; STROBILURIN A; OM-1; UNII-15143I0275; 52110-55-1; Mucidermin; 15143I0275; 3,5-Hexadienoic acid, 2-(methoxymethylene)-3-methyl-6-phenyl-, methyl ester, (2E,3Z,5E)-; 3,5-Hexadienoic acid, 2-(methoxymethylene)-3-methyl-6-phenyl-, methyl ester, (E,E,E)-; SCHEMBL1313193; CHEBI:78156; LS-93712; Q27147658; UNII-44HO7DSH8E component JSCQSBGXKRTPHZ-SYKZHUKTSA-N; methyl (2E,3Z,5E)-2-(methoxymethylene)-3-methyl-6-phenylhexa-3,5-dienoate;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C16H18O3",
"molecular_weight": "258.31",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "6437379",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T001",
"T004012"
],
"function": [
"F020103"
],
"references": [
"RC01152",
"RC01365"
]
},
{
"compound_ID": "D0544",
"name": "cpmb-oxime",
"synonyms": "138772-64-2; Cpmb-oxime; 4-Chlorophenylmethoxybenzyl ketoxime; DTXSID80930215; N-{1,3-Bis[(4-chlorophenyl)methoxy]-1,3-diphenylpropan-2-ylidene}hydroxylamine;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C29H25Cl2NO3",
"molecular_weight": "506.4",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "132174",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T004012"
],
"function": [
"F020103"
],
"references": [
"RC01153"
]
},
{
"compound_ID": "D0545",
"name": "famoxadone",
"synonyms": "Famoxadone; 131807-57-3; Famoxate; Famoxadone solution; Famoxadone [ISO:BSI]; 3-anilino-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione; DPX-JE 874; HSDB 7266; 2,4-Oxazolidinedione, 5-methyl-5-(4-phenoxyphenyl)-3-(phenylamino)-; CHEBI:83250; 2,4-Oxazolidinedione,5-methyl-5-(4-phenoxyphenyl)-3-(phenylamino)-; 5-methyl-5-(4-phenoxyphenyl)-3-(phenylamino)-1,3-oxazolidine-2,4-dione; 5-METHYL-5-(4-PHENOXYPHENYL)-3-(PHENYLAMINO)-2,4-OXAZOLIDINEDIONE; ACMC-20car7; DSSTox_CID_14588; DSSTox_RID_79172; DSSTox_GSID_34588; SCHEMBL63351; CHEMBL1812200; DTXSID8034588; CTK4B7532; PCCSBWNGDMYFCW-UHFFFAOYSA-N; BCP10368; Tox21_301144; 5-Methyl-5-(4-phenoxyphenyl)-3-(phenylamino)oxazolidine-2,4-dione; AKOS015917628; RTR-031747; Famoxadone 10 microg/mL in Cyclohexane; NCGC00168306-01; NCGC00168306-02; NCGC00168306-03; NCGC00255042-01; AS-35178; CC-28351; DB-042062; LS-100368; TR-031747; 486-EP2274983A1; 486-EP2305662A1; 486-EP2308857A1; 486-EP2314583A1; CAS-131807-57-3; FT-0631140; 807F573; C-21219; Q412776; J-006058; 5-Methyl-5-(4-phenoxyphenyl)-3-phenylamino-2,4-oxazolidinedione; DPX-JE874 pound>>DPX JE874 pound>>Famoxadon pound>>Famoxate; FMX; Famoxadone solution, 100 ng/muL in acetonitrile, PESTANAL(R), analytical standard;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C22H18N2O4",
"molecular_weight": "374.4",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "213032",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [
"T004012"
],
"function": [
"F0108",
"F020103"
],
"references": [
"RC01155",
"RC01934",
"RC02555",
"RC03176"
]
},
{
"compound_ID": "D0546",
"name": "uhdbt",
"synonyms": "UHDBT; 5-n-undecyl-6-hydroxy-4,7-dioxobenzothiazole; 43152-58-5; 6-Hydroxy-5-undecyl-4,7-benzothiazoledione; 6-HYDROXY-5-UNDECYL-1,3-BENZOTHIAZOLE-4,7-DIONE; 4,7-Benzothiazoledione, 6-hydroxy-5-undecyl-; 4-hydroxy-5-undecyl-1,3-benzothiazole-6,7-dione; SCHEMBL6672079; CTK1D6913; DTXSID10962928; DB04799; ZINC000014881301; 3-UNDECYL-2-HYDROXYDIOXOBENZOTHIAZOL; UHDBT; Q27095531;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C18H25NO3S",
"molecular_weight": "335.5",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "3016416",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T004012"
],
"function": [
"F020103"
],
"references": [
"RC01157"
]
},
{
"compound_ID": "D0547",
"name": "hhdbt uhnq",
"synonyms": "",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "X",
"molecular_weight": "X",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "X",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Others",
"drug_type": "",
"target": [
"T004012"
],
"function": [
"F020103"
],
"references": [
"RC01158"
]
},
{
"compound_ID": "D0548",
"name": "dibromothymoquinone",
"synonyms": "DIBROMOTHYMOQUINONE; 29096-93-3; Dbmib; 2,5-Dibromo-6-isopropyl-3-methyl-1,4-benzoquinone; 2,5-Dibromo-3-isopropyl-6-methylbenzoquinone; 2,5-Dibromo-3-methyl-6-isopropyl-p-benzoquinone; 2,5-Dibromo-3-isopropyl-6-methylbenzo-1,4-quinone; CHEBI:19371; 2,5-dibromo-3-methyl-6-(1-methylethyl)cyclohexa-2,5-diene-1,4-dione; 2,5-dibromo-3-isopropyl-6-methyl-1,4-benzoquinone; 2,5-dibromo-3-methyl-6-(1-methylethyl)-2,5-cyclohexadiene-1,4-dione; 2,5-Cyclohexadiene-1,4-dione, 2,5-dibromo-3-methyl-6-(1-methylethyl)-; 2,5-Dibromo-3-methyl-6-isopropyl-1,4-benzoquinone; 2,5-dibromo-3-methyl-6-(propan-2-yl)cyclohexa-2,5-diene-1,4-dione; Dibromothymolquinone; EINECS 249-431-8; DBIMB; ACMC-20aobe; 2,5-Dibromothymoquinone; 3,6-Dibromothymoquinone; 2,5-dibromo-3-methyl-6-propan-2-ylcyclohexa-2,5-diene-1,4-dione; SCHEMBL919786; CHEMBL1231418; CTK4G2711; DTXSID60183343; GHHZELQYJPWSMG-UHFFFAOYSA-N; ZINC2011646; MFCD00009967; AKOS015889026; DB04646; FCH1319954; VZ22699; CC-07685; DB-047524; TC-171185; FT-0638830; 2,5-dibromo-3-methyl-6-isopropylbenzoquinone; p-Mentha-3,6-diene-2,5-dione, 3,6-dibromo-; 096D933; A819764; C-19709; SR-01000883712; 2,5-Dibrome-6-isopropyl-3-methyl-1,4-benzoquinone; J-017389; SR-01000883712-1; Q17539331; 2,5-Dibromo-3-isopropyl-6-methylcyclohexa-2,5-diene-1,4-dione; 2,5-bis(bromanyl)-3-methyl-6-propan-2-yl-cyclohexa-2,5-diene-1,4-dione; 2,5-Cyclohexadiene-1,4-dione,2,5-dibromo-3-methyl-6-(1-methylethyl)-;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C10H10Br2O2",
"molecular_weight": "321.99",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "34474",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [
"T004012"
],
"function": [
"F020103"
],
"references": [
"RC01159"
]
},
{
"compound_ID": "D0549",
"name": "diuron",
"synonyms": "diuron; 3-(3,4-Dichlorophenyl)-1,1-dimethylurea; 330-54-1; DCMU; Duran; Dynex; Dichlorfenidim; Herbatox; Vonduron; Dailon; Karmex; Marmer; Karmex DW; Di-on; Cekiuron; Crisuron; Lucenit; Unidron; Diuron Nortox; Karmex D; Karmex Diuron Herbicide; 1-(3,4-Dichlorophenyl)-3,3-dimethylurea; Preventol A 6; Urox D; Diuron 4L; Direx 4L; DP Hardener 95; Telvar Diuron Weed Killer; Urea, N'-(3,4-dichlorophenyl)-N,N-dimethyl-; 1,1-Dimethyl-3-(3,4-dichlorophenyl)urea; Anduron; Ansaron; Dirurol; Durashield; Herburon; Seduron; Bioron; Drexel; Farmco diuron; Sup'r flo; N'-(3,4-Dichlorophenyl)-N,N-dimethylurea; N-(3,4-Dichlorophenyl)-N',N'-dimethylurea; DCMU 99; Diuron 900; Caswell No. 410; HW 920; Ditox-800; Karamex; Aguron; Diater; Dichlorfenidim [Russian]; UNII-9I3SDS92WY; USAF P-7; Diuron [ANSI:BSI:ISO]; N,N,-Dimethyl-N'-(3,4-dichlorophenyl)urea; USAF XR-42; 3-(3,4-Dichlor-phenyl)-1,1-dimethyl-harnstoff; CCRIS 1012; HSDB 382; Direx 80W; 1-(3,4-Dichlorophenyl)-3,3-dimethyluree; 3-(3,4-dichlorophenyl)-1,1-dimethyl-urea; NSC 8950; EINECS 206-354-4; AF 101; Urea, 3-(3,4-dichlorophenyl)-1,1-dimethyl-; EPA Pesticide Chemical Code 035505; BRN 2215168; 9I3SDS92WY; AI3-61438; 3-(3,4-Dicloro-fenyl)-1,1-dimetil-urea; 3-(3,4-Dichloor-fenyl)-1,1-dimethylureum; DTXSID0020446; CHEBI:116509; XMTQQYYKAHVGBJ-UHFFFAOYSA-N; 1-(3,4-Dichlorophenyl)-3,3-dimethyluree [French]; 3-(3,4-Dichloor-fenyl)-1,1-dimethylureum [Dutch]; 3-(3,4-Dicloro-fenyl)-1,1-dimetil-urea [Italian]; MFCD00018136; 3-(3,4-Dichlor-phenyl)-1,1-dimethyl-harnstoff [German]; NCGC00094525-01; N-(3,4-Dichlorophenyl)-N,N-Dimethylurea; DSSTox_CID_446; 3-(3,4-Dichloro-phenyl)-1,1-dimethyl-urea; DSSTox_RID_75595; DSSTox_GSID_20446; CAS-330-54-1; Xarmex; Xarmex, Krovar; M Velpar; Karmex DL; D rexel diuron 4L; Karmex 80W; Spectrum_001823; 1-(3,3-dimethylurea; 3-(3,1-dimethylurea; ACMC-1CQJF; SpecPlus_000424; N'-(3,N-dimethylurea; N-(3,N'-dimethylurea; 1,4-dichlorophenyl)urea; 3-(3,1-dimethylureum; n,n-dimethyl-n'-(3,4-dichlorophenyl)urea; 3-(3,1-dimetil-urea; Spectrum2_001229; Spectrum3_000822; Spectrum4_000662; Spectrum5_001956; Diuron, >=98%; EC 206-354-4; Cambridge id 5104305; SCHEMBL7279; 3-(3,1-dimethyl-harnstoff; BSPBio_002343; KBioGR_001063; KBioSS_002328; SPECTRUM330030; MLS002207110; DivK1c_006520; SPBio_001078; CHEMBL278489; URE002; CTK7G2120; KBio1_001464; KBio2_002325; KBio2_004893; KBio2_007461; KBio3_001843; ZINC57287; NSC8950; WLN: GR BG DMVN1 & 1; NSC-8950; Tox21_111292; Tox21_201438; Tox21_301016; ANW-27531; BBL003847; CCG-39151; Diuron 10 microg/mL in Acetonitrile; STK077954; AKOS001303464; Diuron 100 microg/mL in Acetonitrile; Tox21_111292_1; Urea,4-dichlorophenyl)-N,N-dimethyl-; LS-7325; MCULE-1921281405; RTR-013860; Urea,4-dichlorophenyl)-1,1-dimethyl-; KS-0000105P; NCGC00094525-02; NCGC00094525-03; NCGC00094525-04; NCGC00094525-05; NCGC00094525-06; NCGC00094525-07; NCGC00094525-08; NCGC00094525-09; NCGC00254918-01; NCGC00258989-01; AS-15493; P597; SMR000777941; Diuron, PESTANAL(R), analytical standard; 3-(3,4-Dichlorophenol)-1,1-dimethylurea; DB-048327; Diuron solution 100 ng/muL in acetonitrile; TR-013860; D1328; FT-0603378; N,N-dimethyl-N'-(3,4-dichlorophenyl)-urea; ST50409103; T7706; N-(3,4-dichlorophenyl)-N',N'-dimethyl urea; C18428; 33329-EP2274983A1; 33329-EP2305655A2; 33329-EP2305662A1; 33329-EP2311815A1; 33329-EP2371823A1; N-(3,4-dichlorophenyl)(dimethylamino)carboxamide; A821585; Q425389; SR-01000195223; Diuron, certified reference material, TraceCERT(R); J-018992; SR-01000195223-1; BRD-K75330923-001-02-6; Diuron solution, 100 mug/mL in acetonitrile, PESTANAL(R), analytical standard; W9M;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C9H10Cl2N2O",
"molecular_weight": "233.09",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "3120",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T004013"
],
"function": [
"F020103"
],
"references": [
"RC01161"
]
},
{
"compound_ID": "D0550",
"name": "NQNO",
"synonyms": "NQNO; 2-NONYL-4-HYDROXYQUINOLINE N-OXIDE; 316-66-5; 4-Quinolinol, 2-nonyl-, 1-oxide; NQ-N-Oxide; Nonyl-4-hydroxyquinoline-N-oxide; 1-hydroxy-2-nonylquinolin-4(1h)-one; 1nu1; 2-Nonyl-4-quinolinol 1-oxide; 2-nonylquinolin-4-ol 1-oxide; SCHEMBL4946320; CHEMBL1235570; SCHEMBL21065470; CTK4G7551; DTXSID00953562; 4-Quinolinol, 2-nonyl-,1-oxide; 2-n-nonyl-4-hydroxyquinoline-N-oxide; DB08453; ZINC000100036761; Q27097658;",
"trade_name": "",
"abbrev_name": "NQNO",
"description": "bind to mitochondrial Cytochrome bc1 (Pf class)",
"molecular_formula": "C18H25NO2",
"molecular_weight": "287.4",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "130804",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T004012",
"T004013"
],
"function": [
"F020103"
],
"references": [
"RC01162",
"RC01163"
]
},
{
"compound_ID": "D0551",
"name": "funiculosin",
"synonyms": "Islandicin; Rhodomycelin; 476-56-2; Rhodomycin; FUNICULOSIN; ISLANDIN; Funiculosin (pigment); Funiculosin (anthraquinone); Funiculosin (VAN); 1,4,5-Trihydroxy-2-methylanthraquinone; NSC 264955; CCRIS 3476; EINECS 207-506-2; UNII-VVJ2ULR2M5; NSC264955; VVJ2ULR2M5; 1,4,5-Trihydroxy-2-methylanthracene-9,10-dione; BRN 2059061; CHEBI:80733; 1,4,5-Trihydroxy-2-methyl-9,10-anthracenedione; ANTHRAQUINONE, 1,4,5-TRIHYDROXY-2-METHYL-; 9,10-Anthracenedione,1,4,5-trihydroxy-2-methyl-; 9,10-Anthracenedione, 1,4,5-trihydroxy-2-methyl-; 1,4,5-Trihydroxy-2-methylanthra-9,10-quinone; 4-08-00-03572 (Beilstein Handbook Reference); CHEMBL477724; SCHEMBL9172900; CTK4J0176; DTXSID70197214; FHFHNVHRVKQQHN-UHFFFAOYSA-N; ZINC5212248; 9, 1,4,5-trihydroxy-2-methyl-; NSC-264955; VA11107; Anthraquinone,4,5-trihydroxy-2-methyl-; LS-20716; NCI60_002123; DB-051465; FT-0603404; C16796; 1,4,5-Trihydroxy-2-methylanthra-9,10-quinone #; C-16980; 1,4,5-trihydroxy-2-methyl-anthracene-9,10-dione; Q27149783; 9,10-Anthracenedione, 1,4,5-trihydroxy-2-methyl- (9CI);",
"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": "10151",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0552",
"name": "nitric oxide",
"synonyms": "nitric oxide; nitrogen monoxide; Mononitrogen monoxide; 10102-43-9; nitrosyl; nitrogen monooxide; EDRF; CHEBI:16480; endothelium-derived relaxing factor; monoxyde d'azote; oxoazanyl; oxido nitrico; oxyde azotique; Stickstoffmonoxid; monoxido de nitrogeno; Stickstoff(II)-oxid; Nitric oxide (JAN); INOmax (TN); oxido de nitrogeno(II); Nitrosoradical; [NO]; oxidonitrogen(.); HOA; OHM 11771; Nitric oxide, 98.5%; CHEMBL1200689; DTXSID1020938; CTK0H7679; (.)NO; NO(.); (NO)(.); DB00435; C00533; D00074;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "NO",
"molecular_weight": "30.006",
"state": "liquid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "Nitrate has been identified as the predominant nitric oxide metabolite excreted in the urine, accounting for >70% of the nitric oxide dose inhaled.",
"protein_binding": "",
"half_life": "2–6 seconds",
"absorption": "Nitric oxide is absorbed systemically after inhalation.",
"cid": "145068",
"classification": "R",
"indications": "",
"side_effects": "",
"atc_codes": "R07AX01",
"group": "Drug",
"drug_type": "",
"target": [
"T016"
],
"function": [
"F020103"
],
"references": [
"RC01165"
]
},
{
"compound_ID": "D0553",
"name": "azides",
"synonyms": "",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "X",
"molecular_weight": "X",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "X",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Others",
"drug_type": "",
"target": [
"T016"
],
"function": [
"F020103"
],
"references": [
"RC01167"
]
},
{
"compound_ID": "D0554",
"name": "sulfide",
"synonyms": "SULFIDE; sulfanediide; sulfide(2-); sulphide; UNII-G15I91XETI; 18496-25-8; G15I91XETI; Sulfide ion; c0569; sulfur(2-); Sulphur (2-); Sulfur (2-); CHEBI:15138; DTXSID20872928; S(2-); Q56250422; S2-;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "S-2",
"molecular_weight": "32.07",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "29109",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T016"
],
"function": [
"F020103"
],
"references": [
"RC01168"
]
},
{
"compound_ID": "D0555",
"name": "formate",
"synonyms": "formate; Formic acid, ion(1-); oxidooxomethyl; formate anion; HCO2 anion; 71-47-6; aminate; formylate; methanoate; hydrogen carboxylate; CHEMBL183491; formiate; Formate ion; Sodium; formate; a carboxyl group; Hydrogencarboxylic acid; HCOO-; GTPL4540; CHEBI:15740; CTK5I5292; DTXSID60221219; BDAGIHXWWSANSR-UHFFFAOYSA-M; BDBM50155538; STL483235; LS-190355; Q27110012; Q55579895;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "CHO2-",
"molecular_weight": "45.017",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "283",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T016"
],
"function": [
"F020103"
],
"references": [
"RC01169"
]
},
{
"compound_ID": "D0556",
"name": "ethylxanthate",
"synonyms": "ETHYLXANTHATE; Ethyl xanthogenate; Xanthate; Ethyl xanthate; Xanthogenic acid; Ethylxanthic acid; 151-01-9; Ethylxanthogenic acid; Ethoxydithioformic acid; Xanthic acid, ethyl-; O-Ethyl dithiocarbamate; O-Ethyl dithiocarbonate; Xanthogenic acid, ethyl-; Carbonodithioic acid, O-ethyl ester; UNII-B7B55M6MK1; HSDB 5652; EINECS 205-780-8; Carbonic acid, dithio-, O-ethyl ester; BRN 1740597; B7B55M6MK1; O-Ethyl hydrogen dithiocarbonate; ethyl dithiocarbonate; O-ethyl S-hydrogen carbonodithioate; ethoxymethanedithioic acid; Xanthogensaure; C3H6OS2; ethyl xanthic acid; O-ethylxanthic acid; 6333-67-1; O-ethyldithiocarbonic acid; SCHEMBL5690; 4-03-00-00401 (Beilstein Handbook Reference); CHEMBL3039661; DTXSID3045063; CTK2F5840; dithiocarbonic acid o-ethyl ester; O-Ethyl hydrogen carbonodithioate; ZOOODBUHSVUZEM-UHFFFAOYSA-N; ETHYL SULFANYLMETHANETHIOATE; ZINC12358685; LS-52014; Q27274459;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C3H6OS2",
"molecular_weight": "122.21",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "8823",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T004",
"T005"
],
"function": [
"F020103"
],
"references": [
"RC01170",
"RC01174"
]
},
{
"compound_ID": "D0557",
"name": "bisulfate",
"synonyms": "hydrogen sulfate; Bisulfate; 14996-02-2; hydrogen sulfate ion; tetraoxidosulfate(.1-); Hydrogen sulphate; Sulfate, hydrogen; Tetraoxosulfate(1-); Sulfate(1-), tetraoxo-; Bisulfate, aqueous solution; hydrogensulfate; hydrogensulphate; Bisulfate anion; HSO4-; Sulfate, hydrogen(8CI,9CI); CHEBI:45696; CTK4C6454; DTXSID20897131; QAOWNCQODCNURD-UHFFFAOYSA-M; UN2837; Bisulfate, aqueous solution [UN2837] [Corrosive]; Q3143743; Q27110051;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "HO4S-",
"molecular_weight": "97.07",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "61778",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T004",
"T005"
],
"function": [
"F020103"
],
"references": [
"RC01171",
"RC01175"
]
},
{
"compound_ID": "D0558",
"name": "semicarbazide",
"synonyms": "Semicarbazide; HYDRAZINECARBOXAMIDE; Aminourea; 57-56-7; Carbamylhydrazine; Carbazamide; Semikarbazid; Carbamoylhydrazine; Urea, amino-; Aminoharnstoff; Aminomocovina; Hydrazine, carbamoyl-; Carbamic acid, hydrazide; Carbamidsaeurehydrazid; Semikarbazid [Czech]; Aminomocovina [Czech]; UNII-37QUC23K2X; EINECS 200-339-6; CHEMBL903; BRN 0506319; 37QUC23K2X; CHEBI:28306; DUIOPKIIICUYRZ-UHFFFAOYSA-N; 4426-72-6; Hydrazinecarboxamide, hydrochloride (1:1); isosemicarbazide; amino-urea; 1-azanylurea; carbamic acid hydrazide; Lopac-S-2201; CARBAMOHYDRAZONIC ACID; Lopac0_001096; 4-03-00-00177 (Beilstein Handbook Reference); Hydrazinecarboximidicacid (9CI); DTXSID7043823; CTK1H0495; CTK1H0745; CTK4I8064; ZINC8035043; Semicarbazide, 6 wt% on Silica gel; BBL012207; BDBM50108606; RW2383; STL163549; AKOS005716900; CCG-205173; MCULE-8490374775; NCGC00015934-01; NCGC00015934-02; NCGC00015934-03; NCGC00015934-04; NCGC00015934-05; NCGC00091589-02; A518; SC-18463; Semicarbazide, 6 wt. % (on silica gel); LS-144844; FT-0655580; KS-00001922; C02077; A831506; Q417535; 51433-48-8;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "CH5N3O",
"molecular_weight": "75.07",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "5196",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T004",
"T005"
],
"function": [
"F020103"
],
"references": [
"RC01172",
"RC01176"
]
},
{
"compound_ID": "D0559",
"name": "salicyaldoxime",
"synonyms": "",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "X",
"molecular_weight": "X",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "X",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Others",
"drug_type": "",
"target": [
"T004",
"T005"
],
"function": [
"F020103"
],
"references": [
"RC01173",
"RC01177"
]
},
{
"compound_ID": "D0560",
"name": "adda 5",
"synonyms": "ADDA 5 hydrochloride; 473268-46-1; HY-U00448; ADDA 5 hydrochloride, >=98% (HPLC); CS-0035404;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C24H36ClNO2",
"molecular_weight": "406",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "2882960",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T408"
],
"function": [
"F020103"
],
"references": [
"RC01178"
]
},
{
"compound_ID": "D0561",
"name": "tetrathiomolybdate",
"synonyms": "Tetrathiomolybdate; Thiomolybdate; Tetrathioxomolybdate(2-); UNII-91U3TGV99T; 91U3TGV99T; 16330-92-0; Tiomolibdate ion; CCRIS 9412; CHEBI:30703; tetrathiomolybdate(2-); tetrasulfidomolybdate(VI); tetrasulfidomolybdate(2-); disulfido(dithioxo)molybdenum; (T-4)-tetrathioxomolybdate(2-); [MoS4](2-); DB05088; Molybdate(2-), tetrathioxo-, (T-4)- (9CI);",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "H2MoS4-2",
"molecular_weight": "226.2",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "5245480",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [
"T018",
"T418"
],
"function": [
"F020103",
"F08"
],
"references": [
"RC01179",
"RC01180",
"RC01181"
]
},
{
"compound_ID": "D0562",
"name": "ossamycin",
"synonyms": "Ossamycin; MLS002702998; NSC76627; SMR001566807; Antibiotic B 61,893; CHEMBL1713335; NSC-76627; B 61893K621;",
"trade_name": "",
"abbrev_name": "",
"description": "polyketide inhibitors of F0F1-ATPase; antifungal; cytotoxic; polyketide; a potent inhibitor of the F0 component of mitochondrial F1F0-ATPase",
"molecular_formula": "C49H85NO14",
"molecular_weight": "912.2",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "5351598",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T019",
"T019002"
],
"function": [
"F020103"
],
"references": [
"RC01190",
"RC01191",
"RC01192",
"RC01472",
"RC01473",
"RC01474",
"RC01479"
]
},
{
"compound_ID": "D0563",
"name": "venturicidin B",
"synonyms": "Venturicidin B; UNII-8S254814I6; 33538-72-6; 8S254814I6; Aabomycin A; ZINC169731029; Q27270947; UNII-7RJ2C0030Y component VIOYQVOQUWWSAB-KEXSXYLYSA-N",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C40H66O10",
"molecular_weight": "706.9",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "10032713",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T019",
"T019002"
],
"function": [
"F020103"
],
"references": [
"RC01193",
"RC01464",
"RC01465",
"RC01466",
"RC01467",
"RC01468",
"RC01469",
"RC01470",
"RC01471"
]
},
{
"compound_ID": "D0564",
"name": "organotin compound",
"synonyms": "",
"trade_name": "",
"abbrev_name": "",
"description": "organotin compound ( organic compounds that contain tin); inhibit ATP synthase",
"molecular_formula": "X",
"molecular_weight": "X",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "X",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Others",
"drug_type": "",
"target": [],
"function": [],
"references": []
},
{
"compound_ID": "D0565",
"name": "NCCD",
"synonyms": "N-(2,2,6,6-tetramethylpeperidyl-1-oxyl)-N-(cyclohexyl)carbo-diimide",
"trade_name": "",
"abbrev_name": "",
"description": "lipid-soluble carbodiimides; inhibit ATP synthase; Carboxyl Group Modifiers; lipid-soluble spin-labeled inhibitor of ATP synthase",
"molecular_formula": "X",
"molecular_weight": "X",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "X",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Others",
"drug_type": "",
"target": [
"T019002"
],
"function": [
"F020103"
],
"references": [
"RC01200",
"RC01201"
]
},
{
"compound_ID": "D0566",
"name": "substrate analogs",
"synonyms": "",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "X",
"molecular_weight": "X",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "X",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Others",
"drug_type": "",
"target": [
"T019003"
],
"function": [
"F020103"
],
"references": [
"RC01202"
]
},
{
"compound_ID": "D0567",
"name": "tentoxin",
"synonyms": "tentoxin; 28540-82-1; UNII-FW4EQ02E0Z; FW4EQ02E0Z; Cycloleucyl-N-methylalanylglycyl-N-methyl dehydrophenylalanine; (3S,6S,12Z)-12-benzylidene-1,6,7-trimethyl-3-(2-methylpropyl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone; Cyclo(N-methyl-L-alanyl-L-leucyl-alpha,beta-didehydro-N-methylphenylalanylglycyl), (Z)-; AC1NQY3N; CCRIS 8423; SureCN2266662; Tentoxin, analytical standard; CHEBI:9439; SCHEMBL2266662; DTXSID70893264; ZINC100230999; LS-188550; C08441; Q7700913; cyclo(l-leucyl-N-methyl(z)-dehydrophenylalanyl-glycyl-N-methyl-l-alanyl); Tentoxin from Alternaria tenuis, Naturally occurring phytotoxic cyclic tetrapeptide; (3S,6S,12Z)-1,6,7-trimethyl-3-(2-methylpropyl)-12-(phenylmethylidene)-1,4,7,10-tetraazacyclododecane-2,5,8,11-tetrone; (3S,6S,12Z)-12-benzylidene-3-isobutyl-1,6,7-trimethyl-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone;",
"trade_name": "",
"abbrev_name": "",
"description": "natural cyclic tetrapeptide; potential natural herbicide; phytotoxic",
"molecular_formula": "C22H30N4O4",
"molecular_weight": "414.5",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "5281143",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T019003"
],
"function": [
"F020103"
],
"references": [
"RC01203",
"RC01204",
"RC01205",
"RC01206",
"RC01207",
"RC01208"
]
},
{
"compound_ID": "D0568",
"name": "efrapeptins",
"synonyms": "",
"trade_name": "",
"abbrev_name": "",
"description": "peptides produced by fungi in the genus Tolypocladium that have antifungal, insecticidal, and mitochondrial ATPase inhibitory activities",
"molecular_formula": "X",
"molecular_weight": "X",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "X",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Others",
"drug_type": "",
"target": [
"T019",
"T019003"
],
"function": [
"F020103"
],
"references": [
"RC01209",
"RC01420",
"RC01421",
"RC01422",
"RC01423",
"RC01424",
"RC01425",
"RC01426",
"RC01427"
]
},
{
"compound_ID": "D0569",
"name": "azide",
"synonyms": "azide; Azide ion; Hydrazoate; Azide anion; Nitrogen ion (N3-); 14343-69-2; UNII-88BIA49L8P; CHEMBL79455; 88BIA49L8P; CHEBI:40910; Azide ion(1-); Azide(1-); Azide (N3-); Trinitrogen ion (N3-); Hydrazoic acid, ion (1-); CCRIS 1791; trinitride(1-); trinitride (1-); Azide, negative ion; Azide(1-) ion; Azide (8CI,9CI); 2$l^{6}-triaza-1,2-diyne; DTXSID8074310; BDBM26985; CTK0H8816; IVRMZWNICZWHMI-UHFFFAOYSA-N; Bio1_000464; Bio1_000953; Bio1_001442; NCGC00090996-02; NCGC00090996-03; N3(-); C19935; N3(-1); Q10853389; 15034-27-2;",
"trade_name": "",
"abbrev_name": "",
"description": "a linear anion that is isoelectronic with CO2, NCO−, N2O, NO+",
"molecular_formula": "N3-",
"molecular_weight": "42.021",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "33558",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T019003"
],
"function": [
"F020103"
],
"references": [
"RC01210"
]
},
{
"compound_ID": "D0570",
"name": "woodward's reagent k",
"synonyms": "4156-16-5; Woodward's Reagent K; N-ETHYL-5-PHENYLISOXAZOLIUM-3'-SULFONATE; 2-Ethyl-5-phenylisoxazolium-3'-sulfonate; NEPIS; UNII-3BN309R76H; 3BN309R76H; 2-Ethyl-5-phenylisoxazolium-3'-sulphonate; Woodward's reagent potassium; EINECS 223-988-7; NSC 82643; SCHEMBL2752; Woodward's reagent K, 95%; 3-(2-ethyl-1,2-oxazol-2-ium-5-yl)benzenesulfonate; DTXSID80194411; MWOOKDULMBMMPN-UHFFFAOYSA-N; CN-158; AKOS015897307; ACM4156165; AM83850; MCULE-9176464181; SC-90975; 2-Ethyl-5-phenylisoxazolium-3-sulphoneate; n-ethyl-5-phenylisoxazolium-3'-sulphonate; AB1011490; E0219; FT-0612253; ST50308264; V1143; 3-(2-ethylisoxazol-2-ium-5-yl)benzenesulfonate; C-45820; Q2593238; Woodward inverted exclamation mark s reagent K; NEPIS; 2-Ethyl-5-(3-sulfophenyl)isoxazolium, hydroxide, inn er salt; 2-Ethyl-5-phenylisoxazolium-3'-sulfonate, purum, >=97.0% (T); Isoxazolium, 2-ethyl-5-(3-sulfophenyl)-, hydroxide, inner salt (9CI); Isoxazolium, 2-ethyl-5-(m-sulfophenyl)-, hydroxide, inner salt (8CI);",
"trade_name": "",
"abbrev_name": "WRK",
"description": "2 and NCF.",
"molecular_formula": "C11H11NO4S",
"molecular_weight": "253.28",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "77804",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T019002",
"T019003"
],
"function": [
"F020103"
],
"references": [
"RC01225",
"RC01226"
]
},
{
"compound_ID": "D0571",
"name": "cyclophilin D",
"synonyms": "",
"trade_name": "",
"abbrev_name": "",
"description": "a family of proteins named after their ability to bind to ciclosporin (cyclosporin A)",
"molecular_formula": "X",
"molecular_weight": "X",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "X",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Others",
"drug_type": "",
"target": [
"T019004"
],
"function": [
"F020103"
],
"references": [
"RC01253"
]
},
{
"compound_ID": "D0572",
"name": "(1,1,3,3-tetramethylbutyl)phenol",
"synonyms": "tert-Octylphenol; Phenol, 2-(1,1,3,3-tetramethylbutyl)-; o-tert-Octylphenol; t-octylphenol; 2-(1,1,3,3-Tetramethylbutyl)phenol; (1,1,3,3-TETRAMETHYLBUTYL)PHENOL; Caswell No. 613D; USAF RH-6; Phenol, (1,1,3,3-tetramethylbutyl)-; 3884-95-5; UNII-S262P7049B; XSXWOBXNYNULJG-UHFFFAOYSA-N; EINECS 248-310-7; EPA Pesticide Chemical Code 064118; S262P7049B; 2-tert-octylphenol; EINECS 223-420-8; o-(1,1,3,3-Tetramethylbutyl)phenol; 2-(2,4,4-trimethylpentan-2-yl)phenol; DSSTox_CID_7925; DSSTox_RID_78614; DSSTox_GSID_27925; SCHEMBL324566; CHEMBL3182290; DTXSID7042271; CTK8I5446; ZINC1849861; Tox21_202324; NCGC00259873-01; CAS-27193-28-8; LS-105013; Q27288476;",
"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": "62530",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01570",
"RC02191",
"RC02812"
]
},
{
"compound_ID": "D0573",
"name": "(1'-ethyl-6,7-dihydro-5h-spiro[furo[2,3-f]indole-3,4'-piperidin]-5-yl)[2'-methyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-yl]methanone hydrochloride",
"synonyms": "",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "X",
"molecular_weight": "X",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "X",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Others",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01571",
"RC02192",
"RC02813"
]
},
{
"compound_ID": "D0574",
"name": "(2-ethyl-4-{[(4-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl)methyl]sulfanyl}phenoxy)acetic acid",
"synonyms": "",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "X",
"molecular_weight": "X",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "X",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Others",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01572",
"RC02193",
"RC02814"
]
},
{
"compound_ID": "D0575",
"name": "(2-nitro-1-propenyl)benzene",
"synonyms": "1-Phenyl-2-nitropropene; (2-Nitroprop-1-en-1-yl)benzene; 705-60-2; (2-Nitro-1-propenyl)benzene; Benzene, (2-nitro-1-propenyl)-; (2-Nitropropenyl)benzene; Benzene, 2-nitropropenyl-; 1-(2-Nitropropenyl)benzene; beta-Methyl-beta-nitrostyrene; Phenyl-2-nitropropene; Benzene, (2-nitropropenyl)-; Caswell No. 604; trans-beta-Methyl-beta-nitrostyrene; NSC 2014; 1-Phenyl-2-nitro-1-propene; 18315-84-9; 1-Phenyl-2-nitro-propylen-(1,2); UNII-YT17M2UOTY; YT17M2UOTY; EPA Pesticide Chemical Code 056302; BRN 1863853; 2-Nitro-1-phenyl-1-propene; AI3-15487; 1-Phenyl-2-nitro-propylen-(1,2) [German]; WGSVFWFSJDAYBM-BQYQJAHWSA-N; .beta.-Methyl-.beta.-nitrostyrene; NSC-2014; BENZENE, 1-(2-NITROPROPENYL)-; [(1E)-2-nitroprop-1-en-1-yl]benzene; trans-beta-Methyl-beta-nitrostyrene, 99%; F0798-0236; ((1E)-2-nitroprop-1-enyl)benzene; (2-nitro-propenyl)-benzene; 2-nitro-3-phenyl-2-propene; Phenyl-2-nitropropene -; DSSTox_CID_21188; DSSTox_RID_79642; DSSTox_GSID_41188; 3-05-00-01189 (Beilstein Handbook Reference); (E)-1-Phenyl-2-nitropropene; SCHEMBL1032131; (2-Nitropropenyl)benzene, (E); CHEMBL3188060; (2-Nitro-1-propenyl)benzene #; HMS562C03; Nitro-1-propenyl)benzene, (2-; NSC2014; 1-Phenyl-2-nitro-2-methylethene; Benzene, (2-nitropropen-1-yl)-; (E)-1-Phenyl-2-nitro-1-propene; ZINC4524372; Tox21_303610; (1E)-2-Nitro-1-phenyl-1-propene; CCG-49466; SBB003925; STK760075; Benzene, (2-nitropropenyl)- (8CI); AKOS001751981; Benzene, (2-nitropropenyl)-, (E)-; AC-5285; AS06241; CM13917; DS-4116; FCH2256054; FCH3411395; FCH4060991; LS11815; MCULE-3406905964; (E)-(2-nitroprop-1-en-1-yl)benzene; NCGC00257343-01; ((1E)-2-Nitro-1-propen-1-yl)benzene; BBV-33122023; Benzene, ((1E)-2-nitro-1-propenyl)-; CAS-705-60-2; LS-30913; SC-25069; ST2414207; ST4045634; TC-020765; AZ0001-0427; BENZENE, (2-NITRO-1-PROPEN-1-YL)-; EN300-55519; C-52261; Q6111327; SR-01000638917-1;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C9H9NO2",
"molecular_weight": "163.17",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "1549520",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01573",
"RC02194",
"RC02815"
]
},
{
"compound_ID": "D0576",
"name": "(5-chloro-2-hydroxyphenyl)phenylmethanone",
"synonyms": "5-Chloro-2-hydroxybenzophenone; 85-19-8; Benzophenone-7; (5-Chloro-2-hydroxyphenyl)(phenyl)methanone; 2-Benzoyl-4-chlorophenol; 2-Hydroxy-5-chlorobenzophenone; Dow Hcb; UV Absorber nl/5; 3-Chloro-6-hydroxybenzophenone; Methanone, (5-chloro-2-hydroxyphenyl)phenyl-; UNII-YPJ1YPA54D; (5-Chloro-2-hydroxyphenyl)phenylmethanone; (5-chloro-2-hydroxyphenyl)-phenylmethanone; Benzophenone, 5-chloro-2-hydroxy-; YPJ1YPA54D; 5-chloro-2-hydroxyphenyl phenyl ketone; CHLOROHYDROXY BENZOPHENONE; HSDB 2765; EINECS 201-592-5; p-chlorobenzoylphenol; NSC 33407; 4-chloro-2-benzoylphenol; Methanone,(5-chloro-2-hydroxyphenyl)phenyl-; (5-chloro-2-hydroxy-phenyl)-phenyl-methanone; DSSTox_CID_27870; DSSTox_RID_82623; DSSTox_GSID_47894; SCHEMBL95155; BIDD:ER0217; 2-hydroxy-5-chloro-benzophenone; 5-chloro-2-hydroxy-benzophenone; CHEMBL3184892; DTXSID8047894; CTK5F4487; 5'-Chloro-2'-hydroxybenzophenone; OMWSZDODENFLSV-UHFFFAOYSA-N; ZINC136128; KS-000001DQ; NSC33407; Tox21_200560; NSC-33407; SBB063551; 5-Chloro-2-hydroxybenzophenone, 99%; AKOS009156541; AS05147; LS10627; MCULE-6221797763; VZ30206; CAS-85-19-8; NCGC00248702-01; NCGC00258114-01; AK326748; AS-15170; O344; SC-75263; ST029239; Benzophenone, 5-chloro-2-hydroxy- (8CI); DB-017825; FT-0631395; W-104089; Methanone, (5-chloro-2-hydroxyphenyl)phenyl- (9CI); Q27294643; Z2327226232; InChI=1/C13H9ClO2/c14-10-6-7-12(15)11(8-10)13(16)9-4-2-1-3-5-9/h1-8,15;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C13H9ClO2",
"molecular_weight": "232.66",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "6799",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01574",
"RC02195",
"RC02816"
]
},
{
"compound_ID": "D0577",
"name": "(5s,8s)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide",
"synonyms": "UK-373911; CHEMBL383706; 291305-06-1; DSSTox_CID_27295; DSSTox_RID_82248; DSSTox_GSID_47295; SCHEMBL7734317; DTXSID5047295; Tox21_300458; BDBM50178367; NCGC00248060-01; NCGC00254493-01; CAS-291305-06-1; (5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C17H18Cl2N2O2S",
"molecular_weight": "385.3",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "9908126",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01575",
"RC02196",
"RC02817"
]
},
{
"compound_ID": "D0578",
"name": "(9z)-octadec-9-enamide",
"synonyms": "Oleamide; Oleic acid amide; 301-02-0; Oleylamide; Oleyl amide; Adogen 73; Crodamide O; Slip-eze; Armoslip CP; Crodamide OR; (9Z)-octadec-9-enamide; cis-9,10-Octadecenoamide; (Z)-9-OCTADECENAMIDE; 9-Octadecenamide, (Z)-; 9-Octadecenamide; (Z)-octadec-9-enamide; ELAIDOYLAMIDE; 9Z-octadecenamide; 9,10-octadecenamide; Unislip 1759; 9-Octadecenamide, (9Z)-; Kemamide O; Petrac Slip-Eze; UNII-7L25QK8BWO; Amide O; Armid O; trans-9,10-octadecenoamide; cis-9-Octadecenamide; 14C-labeled oleamide; Diamide O 200; 9,10-octadecenoamide; HSDB 5560; Tocris-0878; 9-Octadecenoic acid, amide (cis); (9Z)-9-Octadecenamide; EINECS 206-103-9; NSC 26987; 7L25QK8BWO; CHEMBL15927; AI3-36742; CHEBI:116314; FATBGEAMYMYZAF-KTKRTIGZSA-N; (9E)-OCTADEC-9-ENAMIDE; ELD; W-106956; octadec-9-enamide; SR-01000597434; Oleyramide; Aliphatic amide; CCRIS 9471; Octadecene amide; (9Z)-octadecenamide; Polydis TR 121; Diamid O 200; Diamit O 200; Oleamide, >=99%; (cis)-9-Octadecenoate; 9-Octadecenamide, cis-; cis-9,10-Octadecanamide; DSSTox_CID_7137; (cis)-9-Octadecenoic acid; Octadec-9-enoic acid amide; (9Z)-9-Octadecenamide #; DSSTox_RID_78321; DSSTox_GSID_27137; SCHEMBL36321; BSPBio_001489; GTPL284; Oleamide, analytical standard; BML2-C10; DTXSID6027137; BDBM23028; (cis)-9-Octadecenoic acid amide; (Z)-Octadec-9-enoic acid amide; HMS1361K11; HMS1791K11; HMS1989K11; HMS3402K11; HMS3411B12; HMS3649L11; HMS3675B12; HY-N2327; NSC26987; ZINC8036015; Tox21_200444; BN0397; LMFA08010004; MFCD00053638; NSC-26987; AKOS016010402; ACM3322621; CCG-208731; IDI1_033959; NCGC00024839-01; NCGC00024839-04; NCGC00024839-05; NCGC00024839-06; NCGC00024839-07; NCGC00024839-08; NCGC00257998-01; AK116609; AS-12260; CAS-301-02-0; LS-97728; AB0011618; AX8146155; B6484; CS-0021046; O0107; Q4370; ST24048839; C19670; SR-01000597434-1; SR-01000597434-2; UNII-3YXD33R71G component FATBGEAMYMYZAF-KTKRTIGZSA-N; Plastic additive 20, European Pharmacopoeia (EP) Reference Standard; Plastic additive 12, United States Pharmacopeia (USP) Reference Standard;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C18H35NO",
"molecular_weight": "281.5",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "5283387",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108",
"F02010203"
],
"references": [
"RC01297",
"RC01311",
"RC01576",
"RC02197",
"RC02818"
]
},
{
"compound_ID": "D0579",
"name": "(acryloyloxy)(tributyl)stannane",
"synonyms": "Tributyltin acrylate; 13331-52-7; acryloxytri-n-butyltin; Tributylstannyl acrylate; (Acryloyloxy)tributylstannane; Caswell No. 867I; Tributylacryloyloxystannane; Tin, (acryloyloxy)tributyl-; UNII-NTF9X8069O; (Acryloyloxy)(tributyl)stannane; Stannane, (acryloyloxy)tributyl-; EINECS 236-381-7; EPA Pesticide Chemical Code 083121; BRN 4139485; NTF9X8069O; Stannane, tributyl((1-oxo-2-propenyl)oxy)-; Acrylic acid, tributyltin deriv.; DSSTox_CID_24796; DSSTox_RID_80482; DSSTox_GSID_44796; Acrylic acid, tributyltin deriv; DTXSID9044796; Tox21_301795; ZINC195997736; 2-Propenoic acid, tributylstannyl ester; NCGC00256111-01; CAS-13331-52-7; LS-146625; FT-0703807; C-53642; Q27285053;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C15H30O2Sn",
"molecular_weight": "361.1",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "16683072",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01577",
"RC02198",
"RC02819"
]
},
{
"compound_ID": "D0580",
"name": "(n-6)-methyladenine",
"synonyms": "N-methyl-7H-purin-6-amine; 443-72-1; N6-Methyladenine; 6-Methyladenine; 6-(Methylamino)purine; 6-Methylaminopurine; N-Methyl-9H-purin-6-amine; N6-Monomethyladenine; 6-Monomethylaminopurine; 6-MAP; 1H-Purin-6-amine, N-methyl-; (N-6)-Methyladenine; Adenine, N-methyl-; N-Methyladenine; Methyl(purin-6-yl)amine; UNII-W7IBY2BGAX; N-6-Methyladenine; NSC 11580; W7IBY2BGAX; EINECS 207-137-7; CHEBI:28871; CKOMXBHMKXXTNW-UHFFFAOYSA-N; n-methyl-1h-purin-6-amine; N(6)-methyladenine; N6-Methyladenin; n-methyl-Adenine; n6-methyl adenine; N6 -methyl-adenine; methylpurin-6-ylamine; 1H-Purin-6-amine, N-methyl- (9CI); N(Sup6)-Methyladenine; DSSTox_CID_857; 6-(N-Methylamino)purine; 6-Methylamino-9H-purine; N(Sup6)-Monomethyladenine; DSSTox_RID_75829; DSSTox_GSID_20857; SCHEMBL21913; Adenine, N-methyl- (8CI); methyl-(9H-purin-6-yl)amine; CHEMBL1738843; DTXSID1020857; methyl (9H-purin-6-yl)-amine; N-Methyl-9H-purin-6-amine #; ZINC391197; KS-00000FC9; N-methyl-N-(9H-purin-6-yl)amine; NSC11580; Tox21_200016; NSC-11580; STL295969; AKOS002203821; AKOS008968388; AKOS028112370; CM-1231; DS-7790; LS-7511; MCULE-9754785261; NE26121; NCGC00248494-01; NCGC00257570-01; AK162393; CAS-443-72-1; FT-0653186; ST24048642; ST45178787; EN300-76775; C08434; W-202782; Q15632800; Z1267881683; N6M;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C6H7N5",
"molecular_weight": "149.15",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "67955",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01578",
"RC02199",
"RC02820"
]
},
{
"compound_ID": "D0581",
"name": "1-(2,3,8,8-tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)ethanone",
"synonyms": "54464-57-2; 1-(2,3,8,8-tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)ethanone; Iso E Super; Isocyclemone E; Boisvelone; Iso-E super; UNII-1GD7ODM28Y; Ethanone, 1-(1,2,3,4,5,6,7,8-octahydro-2,3,8,8-tetramethyl-2-naphthalenyl)-; EINECS 259-174-3; 1GD7ODM28Y; 1-(2,3,8,8-tetramethyl-1,3,4,5,6,7-hexahydronaphthalen-2-yl)ethanone; 1-(1,2,3,4,5,6,7,8-Octahydro-2,3,8,8-tetramethyl-2-naphthyl)ethan-1-one; 2-Acetonaphthone, 1,2,3,4,5,6,7,8-octahydro-2,3,8,8-tetramethyl-; 1-(1,2,3,4,5,6,7,8-Octahydro-2,3,8,8-tetramethyl-2-naphthalenyl)ethanone; 1',2',3',4',5',6',7',8'-Octahydro-2',3',8',8'-tetramethyl-2'-acetonaphthone; DSSTox_CID_11290; DSSTox_RID_78869; DSSTox_GSID_31290; W-111089; 1-(2,3,8,8-tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)ethan-1-one; Ethanone,1-(1,2,3,4,5,6,7,8-octahydro-2,3,8,8-tetramethyl-2-naphthalenyl)-; CAS-54464-57-2; Derambrene; i-e-super; OTNE; SCHEMBL111407; Amberix Super (Iso E Super); CHEMBL1423553; DTXSID7031290; CTK5A1137; FVUGZKDGWGKCFE-UHFFFAOYSA-N; Tox21_201355; Tox21_303483; BBL028399; STL352821; AKOS015955684; MCULE-2137893098; NCGC00090712-01; NCGC00090712-02; NCGC00257507-01; NCGC00258907-01; AM806777; VS-08753; LS-185877; FT-0670449; 464T572; Q15720552; UNII-2JU6ZH6GRE component FVUGZKDGWGKCFE-UHFFFAOYSA-N; 2-Acetonaphthone-1,2,3,4,5,6,7,8-octahydro-2,3,8,8-tetramethyl; 7-acetyl-1,2,3,4,5,6,7,8-octahydro-1,1,6,7-tetramethyl-naphthalene; 1-(1,2,3,4,5,6,7,8-Octahydro-2,3,8,8-tetramethyl-2-naphthyl)ethan-1-one.; 1-(2,3,8,8-tetramethyl-1,2,3,4,5,6,7,8-octahydro-naphthalen-2-yl)-ethanone;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C16H26O",
"molecular_weight": "234.38",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "108242",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01580",
"RC02201",
"RC02822"
]
},
{
"compound_ID": "D0582",
"name": "1-(3,5,5,6,8,8-hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone",
"synonyms": "Tonalid; 21145-77-7; Tonalide; 1-(3,5,5,6,8,8-hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone; 6-Acetyl-1,1,2,4,4,7-hexamethyltetralin; 1506-02-1; Acetyl hexamethyl tetralin; Ethanone, 1-(5,6,7,8-tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthalenyl)-; AHTN; Tentarome; Tetralide; Musk tonalid; AHMT (perfume); AHMT; acetyl methyl tetramethyl tetralin; EINECS 216-133-4; NSC 19550; 7-Acetyl-1,1,3,4,4,6-hexamethyl-1,2,3,4-tetrahydronaphthalene; fixolide; 7-Acetyl-1,1,3,4,4,6-hexamethyltetralin; CHEBI:88666; DNRJTBAOUJJKDY-UHFFFAOYSA-N; 1-(5,6,7,8-Tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthyl)ethan-1-one; EINECS 244-240-6; 7-Acetyl-1,1,3,4,4,6-hexamethyltetrahydronaphthalene; AK-72913; AI3-28517; 1-(3,5,5,6,8,8-hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethan-1-one; W-107569; W-109114; 6-Acetyl-1,1,2,4,4,7-hexamethyl-1,2,3,4-tetrahydronaphthalene; 2-Acetyl-3,5,5,6,8,8-hexamethyl-5,6,7,8- tetrahydronaphthalene; 1-(5,6,7,8-Tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthalenyl)ethan- one; 2'-Acetonaphthone, 5',6',7',8'-tetrahydro-3',5',5',6',8',8'-hexamethyl-; CCRIS 8403; AHTN (Tonalide); EC 216-133-4; DSSTox_CID_21544; DSSTox_RID_79772; DSSTox_GSID_41544; KSC492C4B; SCHEMBL110818; CCRIS 8496; CHEMBL3184267; DTXSID7041544; CTK3J2140; HSDB 7515; AHTN 10 microg/mL in Cyclohexane; 1-(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)ethanone; KS-00000HC4; KS-00000ZD4; NSC19550; Tox21_301256; BBL018868; NSC-19550; STL195398; AKOS015920154; GS-4166; MCULE-5128561438; NCGC00255431-01; BR-72913; LS-67597; LS-67598; AX8157828; CAS-21145-77-7; RT-000301; TR-009939; 4CH-007834; 6-acetyl-1,1,2,4,4,7-hexamethyltetraline; FT-0675293; FT-0688135; ST24026857; W4412; EC 244-240-6; S-5529; 145T777; 7-Acetyl-1,3,4,4,6-hexamethyltetrahydronaphthalene; Q2409972; 6-Acetyl-1,1,2,4,4,7-hexamethyltetralin, >=98%; 6-Acetyl-1,1,2,4,4,7-hexamethyltetralin, AldrichCPR; 7-Acetyl-1,1,3,4,4,6-hexamethyl-tetra-hydronaphtalene; 6-Acetyl-1,1,2,4,4,7-hexamethyltetralin, analytical standard; 1,1,3,4,4,6-Hexamethyl-7-acetyl-1,2,3,4-tetrahydronaphthalene; 1-(3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetrahydro-2-naphthalenyl)ethanone #; 1-(3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)ethanone; 1-(5,6,7,8-tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthalenyl)-ethanone; 2'-Acetonaphthone,6',7',8'-tetrahydro-3',5',5',6',8',8'-hexamethyl-; Ethanone,6,7,8-tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthalenyl)- (VA; (+/-)-1-(3,5,5,6,8,8-hexamethyl-5,6,7,8-tetrahydro-2-naphthalenyl)-1-ethanone; 2'-Acetonaphthone, 5',6',7',8'-tetrahydro-3',5',5',6',8',8'-hexamethyl- (VAN); 2'-Acetonaphthone, 5',6',7',8'-tetrahydro-3',5',5',6',8',8'-hexamethyl- (VAN) (8CI); Ethanone, 1-(5,6,7,8-tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthalenyl)- (VAN); Ethanone, 1-(5,6,7,8-tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthalenyl)- (VAN) (9CI);",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C18H26O",
"molecular_weight": "258.4",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "89440",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01581",
"RC02202",
"RC02823"
]
},
{
"compound_ID": "D0583",
"name": "1,1,1-trichloropropanone",
"synonyms": "1,1,1-TRICHLOROACETONE; 918-00-3; 1,1,1-Trichloropropanone; Trichloroacetone; 1,1,1-Trichloro-2-propanone; 2-Propanone, 1,1,1-trichloro-; 1,1,1-trichloropropan-2-one; 2-Propanone, trichloro-; UNII-NW27ZG5LDA; CCRIS 7196; alpha,alpha,alpha-Trichloroacetone; NSC 2645; NW27ZG5LDA; BRN 1748883; AI3-19851; SMZHKGXSEAGRTI-UHFFFAOYSA-N; .alpha.,.alpha.,.alpha.-Trichloroacetone; 72497-18-8; HSDB 7625; 1,1-Trichloroacetone; CCl3COCH3; 1,1-Trichloropropanone; ACMC-209rdn; DSSTox_CID_1679; 1,1-Trichloro-2-propanone; DSSTox_RID_76279; DSSTox_GSID_21679; 2-Propanone,1,1-trichloro-; SCHEMBL136756; CHEMBL3185648; DTXSID5021679; 1,1,1-trichloro-propan-2-one; CTK2H9253; .alpha.,.alpha.-Trichloroacetone; NSC2645; NSC-2645; ZINC1641054; Tox21_201222; ANW-39753; AKOS015848746; MCULE-6100811363; 1,1,1-TRICHLOROACETONE 95+%; NCGC00248963-01; NCGC00258774-01; CAS-918-00-3; DB-057269; LS-123195; TR-028911; FT-0605937; InChI=1/C3H3Cl3O/c1-2(7)3(4,5)6/h1H; Q27285080;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C3H3Cl3O",
"molecular_weight": "161.41",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "13514",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01582",
"RC02203",
"RC02824"
]
},
{
"compound_ID": "D0584",
"name": "1,1,2-trimethyl-1h-benzo[e]indole",
"synonyms": "41532-84-7; 1,1,2-TRIMETHYL-1H-BENZO[E]INDOLE; 1,1,2-TRIMETHYL-1H-BENZ[E]INDOLE; 1,1,2-Trimethylbenz[e]indole; 2,3,3-trimethylbenzoindolenine; 2,3,3-Trimethyl-4,5-benzo-3H-indole; 1H-BENZ[E]INDOLE, 1,1,2-TRIMETHYL-; UNII-F56431T911; 1,1,2-Trimethyl-1H-benz(e)indole; MFCD00082627; 1H-Benz(e)indole, 1,1,2-trimethyl-; 2,3,3-trimethyl-1H-benz[e]indolenine; F56431T911; 1,1,2-trimethylbenzo[e]indole; 1,1,2-trimethylhydrobenzo[e]indole; 1,1,2-Trimethyl-1H-benzo(e)indole (2,3,3-Trimethylbenzo(4,5)indole); EINECS 255-429-8; 1,1-2-Trimethyl-1H-benz(e)indole; PubChem20605; ACMC-1AOWW; DSSTox_CID_24668; DSSTox_RID_80387; DSSTox_GSID_44668; SCHEMBL31583; KSC491I2P; MLS001018037; AMBZ0240; CHEMBL1405775; DTXSID4044668; CTK3J1427; WJZSZXCWMATYFX-UHFFFAOYSA-N; HMS2663B13; ACN-S003372; ACT03540; KS-00000E8J; ZINC1042104; Tox21_301959; ANW-29642; CCG-53010; CT-110; SBB042430; 1,1,2-trimethyl[1H]-benz[e]indole; AKOS000270783; AKOS025243391; 2,3,3-Trimethyl-4,5-benzoindolenine; AM85760; MCULE-1295535784; PS-8025; RTC-060677; TRA0063721; 1,1,2-trimethyl-[1H]-benz[e]indole; 2,3,3-Trimethylnaphto[1,2-d]pyrrole; 1,1,2-Trimethylnaphtho[1,2-d]pyrrole; NCGC00245998-01; NCGC00256303-01; AC-27784; AK-82305; SC-25775; SMR000354277; SY018592; 1,1,2-Trimethyl-1H-benz[e]indole, 96%; CAS-41532-84-7; TC-060677; EU-0010594; FT-0601282; ST24026710; ST50135389; A-4014; T-6620; 532T847; SR-01000389684; 1,1,2-Trimethylbenz[e]indole, >=98.0% (HPLC); Q-102567; SR-01000389684-1; SR-01000389684-2; BRD-K67859649-001-07-6; Q27277660; F0347-1365;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C15H15N",
"molecular_weight": "209.29",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "170530",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01583",
"RC02204",
"RC02825"
]
},
{
"compound_ID": "D0585",
"name": "1,1':3',1''-terphenyl",
"synonyms": "M-TERPHENYL; 1,3-Diphenylbenzene; 1,1':3',1''-Terphenyl; 92-06-8; m-Diphenylbenzene; m-Triphenyl; Santowax M; Isodiphenylbenzene; 1,3-Terphenyl; meta-terphenyl; Santowax R; Santowax OM; 1,1'-Biphenyl, 3-phenyl-; Diphenylbenzene; Terbenzene; Triphenyl; UNII-WOI2PSS0KX; Delowax S; Delowax OM; NSC 6808; Gilotherm OM 2; CCRIS 1656; HSDB 2537; WOI2PSS0KX; EINECS 202-122-1; AI3-00860; YJTKZCDBKVTVBY-UHFFFAOYSA-N; EINECS 247-477-3; AI3-01405; DSSTox_CID_9117; DSSTox_RID_78671; DSSTox_GSID_29117; 26140-60-3; J-503715; 3-Phenylbiphenyl; CAS-92-06-8; m-Terphenyl, 99%; Benzene, m-diphenyl-; 1, 3-phenyl-; ACMC-1BNS0; 3-Phenyl-1,1'-biphenyl; KSC145K3T; 1,1':3',1''-biphenyl; CHEMBL3184163; DTXSID2029117; m-Terphenyl, analytical standard; NSC6808; KS-00000W0Z; NSC-6808; ZINC1866998; Tox21_201579; Tox21_303528; ANW-13640; MFCD00003059; SBB061488; AKOS002386404; ACN-051085; MCULE-7637119784; RTR-038411; NCGC00249075-01; NCGC00257320-01; NCGC00259128-01; AK113881; AS-19308; OR315378; AX8105814; DB-079227; LS-148781; LS-148782; ST2408393; TR-038411; 1~1~,2~1~:2~3~,3~1~-Terphenyl; FT-0629010; ST50484947; X6731; EC 247-477-3; Q20965190; UNII-LFX1C55D2Z component YJTKZCDBKVTVBY-UHFFFAOYSA-N; InChI=1/C18H14/c1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16/h1-14;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C18H14",
"molecular_weight": "230.3",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "7076",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01584",
"RC02205",
"RC02826"
]
},
{
"compound_ID": "D0586",
"name": "1,2,5,6,9,10-hexabromocyclododecane",
"synonyms": "1,2,5,6,9,10-HEXABROMOCYCLODODECANE; 3194-55-6; Cyclododecane, 1,2,5,6,9,10-hexabromo-; HBCD; 1,2,5,6,9,10-Hexabromocyclodecane; HSDB 6110; EINECS 221-695-9; DSSTox_CID_7527; DSSTox_RID_78489; DSSTox_GSID_27527; CAS-3194-55-6; Saytex HBCD-LM; ACMC-1BN89; SCHEMBL25669; KSC491M2H; CHEMBL375298; DTXSID4027527; CTK3J1623; CHEBI:134063; DEIGXXQKDWULML-UHFFFAOYSA-N; CD-75; Tox21_201402; Tox21_303176; ANW-27232; AKOS015836044; RTR-036468; 1,2,5,6,9,10-Hexabromocyclododecan; KS-0000010E; NCGC00164063-01; NCGC00164063-02; NCGC00257050-01; NCGC00258953-01; AK116613; LS-55963; SC-18694; AX8052905; DB-068553; ST2414740; TR-036468; FT-0626944; 1,2,5,6,9,10-Hexabromocyclododecane, 95%; 1,2,5,6,9,10-Hexabromocyclododecane (HBCD); Q420301; W-106868; 1,2,5,6,9,10-Hexabromocyclododecane, analytical standard;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C12H18Br6",
"molecular_weight": "641.7",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "18529",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01585",
"RC02206",
"RC02827"
]
},
{
"compound_ID": "D0587",
"name": "1,2-benzisothiazolin-3-one",
"synonyms": "2634-33-5; 1,2-Benzisothiazol-3(2H)-one; 1,2-Benzisothiazolin-3-one; 1,2-benzothiazol-3-one; benzisothiazolone; Benzo[d]isothiazol-3(2H)-one; Benzo[d]isothiazol-3-one; Proxel; 1,2-Benzisothiazoline-3-one; Proxel PL; Benzo[d]isothiazol-3-ol; 2,3-dihydro-1,2-benzothiazol-3-one; Nipacide BIT; Proxel AB; Proxel XL 2; 1,2-BENZISOTHIAZOL-3-ONE; benzoisothiazol-3-one; 1,2-benzoisothiazolin-3-one; 1,2-Benzisothiazolone; Caswell No. 079A; Caswell No. 513A; 1,2-benzisothiazolinone; C7H5NOS; UNII-HRA0F1A4R3; CCRIS 6369; 3-Hydroxy-1,2-benzisothiazole; IPX; CHEBI:167099; EINECS 220-120-9; EPA Pesticide Chemical Code 098901; HRA0F1A4R3; 1,2-Benzoisothiazoline-3-one; 40991-37-5; DMSMPAJRVJJAGA-UHFFFAOYSA-N; 2,3-dihydro-3-oxo-1,2-benzisothiazole; MLS-0254244.0001; Benzo(d)isothiazol-3(2H)-one; Benzisothiazolin-3-one; Benzocil; Acticide BIT; Canguard BIT; Denicide BIT; Proxel BD; Proxel CF; Proxel TN; Proxel XL; Proxel BDN; Proxel GXL; Proxel Ultra 5; San-aibac AP; Proxel LV-S; Proxel Press Paste; Apizas AP-DS; Acticide BW 20; Bestcide 200K; Nipacide BIT 20; Parmetol B 70; Parmetol D 11; Proxel GXL(S); Proxel HL 2; Nuosept 485; Nuosept 491; Nuosept 495; Topcide 600; XBINX; Denicide BIT 20N; Koralone B 119; Nipacide BIT 10W; Preventol BIT 20D; Proxel BD 20; Proxel Press Paste D; Troysan 1050; Bioban BIT 20DPG; 1,2-benzisothiazole-3(2h)-one; benzisothiazoline-3-one; Canguard BIT 20DPG; SD 202 (bactericide); Canguard Ultra BIT 20LE; 1,2-Benzoisothiazol-3-one; BIT 10W; BIT 20; 2-Thiobenzimide; 2,3-Dihydrobenzisothiazol-3-one; SD 202; 1,2-Benzothiazolinone; PubChem15685; Benzisothiazolone (BIT); ACMC-209u7v; Epitope ID:115004; Benzisothiazol-3(2H)-one; DSSTox_CID_12523; DSSTox_RID_78967; DSSTox_GSID_32523; SCHEMBL26078; cid_17520; KSC201Q7J; MLS000771034; REGID_for_CID_17520; CHEMBL297304; SCHEMBL5586024; DTXSID5032523; BDBM46658; CTK1A1874; HSDB 8271; 1,2-BIT; HMS1755P21; HMS2706H20; 1,2-Benzisothiazol-3-one (BIT); KS-00000E5U; ZINC2581983; Tox21_300489; ANW-43433; MFCD00127753; AKOS001062434; AKOS030227972; AC-2653; CS-W018117; FS-3163; MCULE-3257757873; NE11261; 1,2-BENZISOTHAZOL-3(2H)-ONE; 1,2-Benzisothiazol-3(2H)-one, 97%; NCGC00164206-01; NCGC00248077-01; NCGC00254467-01; BR-46705; LS-33607; SC-15324; SMR000344133; US9011882, Table 1, Compound 20; CAS-2634-33-5; AB0008332; AB1001358; DB-027306; AM20060449; B2430; FT-0606282; EN300-17679; 34B335; M-4954; 634B335; A818398; AE-562/40151878; Q411746; 1,2-Benzisothiazol-3(2H)-one, analytical standard; W-107178; Z56983154; F0288-0100; InChI=1/C7H5NOS/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C7H5NOS",
"molecular_weight": "151.19",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "17520",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01586",
"RC02207",
"RC02828"
]
},
{
"compound_ID": "D0588",
"name": "1,2-phenylenediamine",
"synonyms": "O-PHENYLENEDIAMINE; benzene-1,2-diamine; 95-54-5; 1,2-Phenylenediamine; 1,2-Benzenediamine; 1,2-Diaminobenzene; 2-Aminoaniline; o-Diaminobenzene; Orthamine; o-Benzenediamine; OPDA; ortho-Phenylenediamine; o-Phenylene diamine; PODA; C.I. Oxidation Base 16; o-Fenylendiamin; 1,2-Fenylendiamin; 2-Phenylene diamine; IK 3; CI Oxidation Base 16; EK 1700; o-Fenylendiamin [Czech]; o-phenylendiamine; SQ 15500; NSC 5354; C.I. 76010; 1,2-Fenylendiamin [Czech]; CCRIS 508; UNII-8B713N8Q0F; HSDB 2893; phenylene-1,2-dimaine; Phenylenediamine, ortho-; EINECS 202-430-6; MFCD00007721; BRN 0606074; CI 76010; AI3-24343; CHEBI:34043; NSC5354; GEYOCULIXLDCMW-UHFFFAOYSA-N; 8B713N8Q0F; Phenylenediamine, o-, and its salt; NCGC00090885-03; o-Phenylenediamine, 98%; orthophenylenediamine; PHENYLENDIAMINE; 1,2-Benzenediamine, hydrochloride (1:2); o-Aminoaniline; o-phenylendiamin; Phenylene diamine; 2-Amino-aniline; ortho-aminoaniline; 0-phenylendiamine; 0-phenylenediamine; 2-aminophenylamine; o-phenyl-enediamine; o-phenyle-nediamine; o-phenylene-diamine; ortho-diaminobenzene; 1.2-diaminobenzene; 1,2-phenylendiamine; 1,2 phenylenediamine; 1,2-benzenedi-amine; 1.2-phenylenediamine; ortho phenylene diamine; (2-aminophenyl)-amine; 1,2 phenylene diamine; 1,2-phenylene diamine; 1,2-phenylene-diamine; ACMC-209rzd; DSSTox_CID_5881; WLN: ZR BZ; EC 202-430-6; NCIMech_000739; SCHEMBL6187; DSSTox_RID_77958; DSSTox_GSID_25881; 1,2-DIAMINO-BENZENE; 4-13-00-00038 (Beilstein Handbook Reference); BIDD:ER0680; CHEMBL70582; ZINC4316; DTXSID3025881; SCHEMBL11062175; CTK1A4112; BCP25295; KS-00000YB2; NSC-5354; STR03001; Tox21_400014; ANW-40535; CCG-35856; o-Phenylenediamine, flaked, 99.5%; SBB040801; STK301816; AKOS000119133; o-Phenylenediamine, sublimed, >=99%; LS-1980; MCULE-9134155552; NE10509; RTR-038559; CAS-95-54-5; NCGC00090885-01; NCGC00090885-02; NCGC00090885-04; NCGC00090885-05; NCGC00090885-06; BP-11855; H444; NCI60_004318; SC-26371; AB1003779; TR-038559; 2-Phenylene diamine (1,2Phenylenediamine); FT-0662537; P0168; P0968; P1805; ST24030101; ST45061692; C14402; o-Phenylenediamine, for fluorescence, free base; 33225-EP2276085A1; 33225-EP2284920A1; 33225-EP2292586A2; 33225-EP2295421A1; 33225-EP2298828A1; 33225-EP2299509A1; 33225-EP2301983A1; 33225-EP2305643A1; 33225-EP2311815A1; 33225-EP2371810A1; 33225-EP2371812A1; 33225-EP2372804A1; 33225-EP2378585A1; 80449-EP2280008A2; 80449-EP2292597A1; 80449-EP2298770A1; 80449-EP2305250A1; 177737-EP2277862A2; 177737-EP2280282A1; AC-907/25014349; o-Phenylenediamine [UN1673] [Keep away from food]; Q3596763; W-100163; 1,2-Phenylenediamine 1000 microg/mL in Acetonitrile; o-Phenylenediamine [UN1673] [Keep away from food]; F1908-0114; o-Phenylenediamine, tablet, 20 mg substrate per tablet; Z1245635791; o-Phenylenediamine, Peroxidase substrate, >=98.0%, powder; UNII-TJX894Z2PK component GEYOCULIXLDCMW-UHFFFAOYSA-N; o-Phenylenediamine, suitable for fluorescence, >=99.0% (NT); 1,2-Diaminobenzene; 1,2-Phenylenediamine; o-Phenylenediamine; OPD; InChI=1/C6H8N2/c7-5-3-1-2-4-6(5)8/h1-4H,7-8H;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C6H8N2",
"molecular_weight": "108.14",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "7243",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01587",
"RC02208",
"RC02829"
]
},
{
"compound_ID": "D0589",
"name": "1,2-phenylenediamine dihydrochloride",
"synonyms": "615-28-1; 1,2-Phenylenediamine dihydrochloride; o-Phenylenediamine dihydrochloride; 1,2-Benzenediamine, dihydrochloride; benzene-1,2-diamine dihydrochloride; Opd Easy-Tablets; USAF EK-678; UNII-Z16252Z50J; HSDB 6232; o-Phenylenediamine.2HCl; EINECS 210-418-7; 1,2-BENZENEDIAMINE DIHYDROCHLORIDE; AI3-50519; O-PHENYLENEDIAMINE 2HCL; 1,2-Diaminobenzene Dihydrochloride; Z16252Z50J; o-Phenylenediamine dihydrochloride, 99+%; 1,2-Benzenediamine, hydrochloride (1:2); o-Phenylenediamine dihydrochloride, tablet, 5 mg substrate per tablet; MFCD00012966; PubChem23346; o-phenylenediamine dihcl; OPD.2HCl; ACMC-209mtk; DSSTox_CID_1140; DSSTox_RID_75971; DSSTox_GSID_21140; SCHEMBL39679; KSC491Q7R; o-phenylenediaminedihydrochloride; CHEMBL3183208; DTXSID3021140; CTK3J1878; phenylenediamine bis-hydrochloride; RIIWUGSYXOBDMC-UHFFFAOYSA-N; KS-000010WH; Tox21_200980; 1,2-phenylenediamine bishydrochloride; 7682AF; ANW-33846; AKOS016353189; LS-7652; MCULE-6086072969; RTR-021191; TRA0036714; NCGC00258533-01; AS-40012; CAS-615-28-1; SC-47879; DB-053918; TR-021191; P0171; P1144; o-Phenylenediamine dihydrochloride, >=99.0% (AT); Q26841263; F1905-7101; o-Phenylenediamine dihydrochloride, peroxidase substrate; o-Phenylenediamine dihydrochloride, tablet, 1 mg substrate per tablet; o-Phenylenediamine dihydrochloride, tablet, 10 mg substrate per tablet; o-Phenylenediamine dihydrochloride, tablet, 15 mg substrate per tablet; o-Phenylenediamine dihydrochloride, tablet, 2 mg substrate per tablet; o-Phenylenediamine dihydrochloride, tablet, 20 mg substrate per tablet; o-Phenylenediamine dihydrochloride, tablet, 3 mg substrate per tablet; o-Phenylenediamine dihydrochloride, tablet, 30 mg substrate per tablet; o-Phenylenediamine dihydrochloride, tablet, 4 mg substrate per tablet; o-Phenylenediamine dihydrochloride, tablet, 60 mg substrate per tablet;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C6H10Cl2N2",
"molecular_weight": "181.06",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "11990",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01588",
"RC02209",
"RC02830"
]
},
{
"compound_ID": "D0590",
"name": "1,3,5-tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl)-1,3,5-triazinane-2,4,6-trione",
"synonyms": "40601-76-1; Tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl) isocyanurate; Cyanox CY 1790; EINECS 254-996-9; UNII-253H13NWCQ; 1,3,5-Tris(4-(tert-butyl)-3-hydroxy-2,6-dimethylbenzyl)-1,3,5-triazinane-2,4,6-trione; 1,3,5-tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl)-1,3,5-triazinane-2,4,6-trione; XYXJKPCGSGVSBO-UHFFFAOYSA-N; 253H13NWCQ; 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[[4-(1,1-dimethylethyl)-3-hydroxy-2,6-dimethylphenyl]methyl]-; 1,3,5-Tri(4-tert-butyl-2,6-dimethyl-3-hydroxybenzyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione; 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris((4-(1,1-dimethylethyl)-3-hydroxy-2,6-dimethylphenyl)methyl)-; 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione,1,3,5-tris[[4-(1,1-dimethylethyl)-3-hydroxy-2,6-dimethylphenyl]methyl]-; 1,3,5-Tris((4-tert-butyl-3-hydroxy-2,6-xylyl)methyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione; Antioxidant 1790; Irganox 3790; Lowinox 1790; Cyanox 1790; C42H57N3O6; DN 90; AO 1790; CY 1790; DSSTox_CID_8008; EC 254-996-9; DSSTox_RID_78637; DSSTox_GSID_28008; SCHEMBL26717; tris(4-tert-butyl-3-hydroxy-2,6-dimethyl-benzyl); BIDD:ER0469; CHEMBL3184256; DTXSID8028008; CTK4I3412; KS-00000JDH; Tox21_200797; ZINC95803284; AKOS025310998; DS-3342; NCGC00248836-01; NCGC00258351-01; AK676329; O819; CAS-40601-76-1; LS-179630; FT-0698392; Q27253902; Tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl) isocyanurate, 97%; Isocyanuric Acid Tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl) Ester; 1,3,5-tris-(4-t-butyl-3-hydroxy-2,6-dimethylbenzyl)-s-triazine-2,4,6-(1h,3h,5h)-trione; 1,3,5-Tis(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl)-1,3,5-triazine-2,4,6-(1H, 3H, 5H)- trione; 1,3,5-tris(4-t-butyl-3-hydroxy-2,6-dimethyl-benzyl)-1,3,5-triazine-2,4,6(1H,3H,5H)trione; 1,3,5-tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl) 1,3,5-triazine-2,4,6-(1h,3h,5h)-trione; 1,3,5-Tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl)-1,3,5-triazine-2,4,6-(1H,3H,5H)-trione;Irganox 1790; 1,3,5-tris(4-tert.-butyl-3-hydroxy-2,6-dimethylbenzyl)-1,3,5-triazine-2,4,6-(1h,3h,5h)-trione;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C42H57N3O6",
"molecular_weight": "699.9",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "93221",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01589",
"RC02210",
"RC02831"
]
},
{
"compound_ID": "D0591",
"name": "1,3-didecyl-2-methylimidazolium chloride",
"synonyms": "70862-65-6; 1,3-Didecyl-2-methylimidazolium chloride; 1,3-didecyl-2-methyl-1H-imidazol-3-ium chloride; 1,3-Didecyl-2-methyl-1H-imidazolium chloride; 1H-Imidazolium,1,3-didecyl-2-methyl-, chloride (1:1); 1,3-DIDECYL-2-METHYLIMIDAZOLIUMCHLORIDE; EINECS 274-948-0; DSSTox_CID_29311; DSSTox_RID_83427; DSSTox_GSID_49352; SCHEMBL453520; CHEMBL3185667; DTXSID1049352; CTK5D3084; Tox21_202627; AKOS015913275; KS-0000192I; NCGC00260175-01; AS-69213; CAS-70862-65-6; DB-004388; FT-0736033; 1,3-Didecyl-2-methylimidazolium chloride, 96%; 1,3-bis(decyl)-2-methyl-1H-imidazol-3-ium chloride;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C24H47ClN2",
"molecular_weight": "399.1",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "2775940",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01590",
"RC02211",
"RC02832"
]
},
{
"compound_ID": "D0592",
"name": "1,3-diiminobenz(f)isoindoline",
"synonyms": "1,3-Diiminobenz[f]isoindoline; 65558-69-2; 1,3-Diiminobenz(f)isoindoline; UNII-W6B17HR0NG; 1H-Benz[f]isoindol-3-amine, 1-imino-; 1H-Benzo[f]isoindole-1,3(2H)-diimine; W6B17HR0NG; 1,3-Diiminobenz (f)-isoindoline; JAWNWEKHDFBPSG-UHFFFAOYSA-N; 1H-Benz[f]isoindol-3-amine,1-imino-; 1H-Benz(f)isoindol-3-amine, 1-imino-; NCGC00090942-03; 1-iminobenzo[f]isoindole-3-ylamine; 3-iminobenzo[f]isoindol-1-amine; NCGC00090942-01; ACMC-1B7W2; DSSTox_CID_12751; DSSTox_RID_79036; DSSTox_GSID_32751; 1,3-diiminobenzo(f)isoindoline; SCHEMBL3218707; 1,3-diiminobenz(f]-isoindoline; CHEMBL1492884; DTXSID3032751; CTK5C2873; 1,3-diiminobenz (f) isoindoline; ZINC2522737; Tox21_400043; ANW-35066; MFCD00059067; SBB000342; 1,3-Diiminobenz[f]isoindoline, 95%; 1-imino-1H-benzo[f]isoindol-3-amine; AKOS006227669; AKOS015854073; ACN-049327; MCULE-3707119248; NCGC00090942-02; NCGC00090942-04; NCGC00248520-01; 1H-Benz[f]isoindole-1,3(2H,3H)-diimine; 1H-Benzo[f]isoindole-1,3(2H)-diimine #; CAS-65558-69-2; LS-195552; TR-022299; D2009; FT-0691055; ST51007085; Q27292393;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C12H9N3",
"molecular_weight": "195.22",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "171660",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01591",
"RC02212",
"RC02833"
]
},
{
"compound_ID": "D0593",
"name": "1,3-diphenyl-1,3-propanedione",
"synonyms": "Dibenzoylmethane; 1,3-Diphenylpropane-1,3-dione; 120-46-7; 1,3-DIPHENYL-1,3-PROPANEDIONE; 1,3-Propanedione, 1,3-diphenyl-; 2-Benzoylacetophenone; Phenyl phenacyl ketone; Rhodiastab 83; omega-Benzoylacetophenone; Dibenzoyl-methane; Karenzu DK2; UNII-ANS7ME8OKC; NSC 6266; ANS7ME8OKC; EINECS 204-398-9; MFCD00003085; .omega.-Benzoylacetophenone; BRN 0514910; AI3-19022; 1,3-diphenyl-1,3-propandione; CHEBI:75417; NZZIMKJIVMHWJC-UHFFFAOYSA-N; 1,3-Diphenyl-propane-1,3-dione; NSC-6266; Dibenzoylmethane, 98%; dibenzoyl methane; Dibenzoylmethan; CCRIS 8445; Karenzu DK 2; 1, 1,3-diphenyl-; Spectrum2_000038; Spectrum3_001950; ACMC-209a7j; EC 204-398-9; DSSTox_CID_21247; DSSTox_RID_79661; DSSTox_GSID_41247; SCHEMBL39582; BSPBio_003550; KSC174Q7F; MLS002695996; SPECTRUM1505311; SPBio_000135; CHEMBL371523; 1,3-diphenyl-1,3-propanedion; DTXSID3041247; BDBM22727; CTK0H4872; KBio3_002841; NSC6266; 1,3-Diphenyl-Propan-1,3-Dion; HMS3091A20; KS-00000C2Z; STR01439; ZINC4530702; 1,3-Diphenylpropanedione (Related); Tox21_300686; ANW-17501; CCG-40047; STK372683; AKOS000119639; CS-W010447; MCULE-6320643310; NE10265; RTR-003386; TRA0010805; 1,3-Diphenyl-1,3-propanedione, 98%; UPCMLD0ENAT5883819:001; NCGC00095298-01; NCGC00095298-02; NCGC00095298-03; NCGC00095298-04; NCGC00254594-01; AC-11379; AK-94186; CAS-120-46-7; M261; SC-19029; SMR001253722; SY014045; DB-041558; LS-120771; TR-003386; AM20020283; D0910; FT-0624640; ST24026765; ST50319429; Q5272260; W-108476; BRD-K01555864-001-02-8; F0001-0329; Z256709078;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C15H12O2",
"molecular_weight": "224.25",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "8433",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01592",
"RC02213",
"RC02834"
]
},
{
"compound_ID": "D0594",
"name": "1,4-benzenediamine",
"synonyms": "p-Phenylenediamine; benzene-1,4-diamine; 106-50-3; 1,4-BENZENEDIAMINE; 1,4-Diaminobenzene; 1,4-Phenylenediamine; para-phenylenediamine; 4-Aminoaniline; p-Diaminobenzene; p-Aminoaniline; Orsin; 4-Phenylenediamine; Paraphenylenediamine; p-Benzenediamine; Fouramine D; Futramine D; Benzofur D; Fourrine D; Fur Yellow; Developer PF; Santoflex IC; Santoflex LC; Pelagol D; Tertral D; Durafur Black R; Pelagol DR; Peltol D; Fourrine 1; Pelagol Grey D; Furro D; Ursol D; Zoba Black D; Renal PF; Developer 13; Nako H; BASF ursol D; Oxidation base 10; Fenylenodwuamina; p-Phenyldiamine; P-PHENYLENE DIAMINE; Usaf ek-394; C.I. Developer 13; Rodol D; Fur Black 41867; Paraphenylen-diamine; FUR Brown 41866; paraphenylene-diamine; C.I. Oxidation Base 10; p-Fenylendiamin; CI Developer 13; p-phenylenediamine base; CI Oxidation Base 10; Fur Black 41866; p-Fenylendiamin [Czech]; Fenylenodwuamina [Polish]; NSC 4777; C.I. 76060; para-diaminobenzene; UNII-U770QIT64J; CCRIS 509; CI 76060; CHEBI:51403; HSDB 2518; Phenylenediamine, para-; EINECS 203-404-7; AI3-00710; U770QIT64J; CBCKQZAAMUWICA-UHFFFAOYSA-N; MFCD00007901; NCGC00159375-02; NCGC00159375-04; DSSTox_CID_1138; p-Phenylenediamine, 99+%; DSSTox_RID_75969; DSSTox_GSID_21138; Phenylenediamines; 4-aminophenylamine; CAS-106-50-3; PHENYLENEDIAMINE, P-; p-phenylendiamine; 4-amino-aniline; Aminogen II; p-phenylene-diamine; 4-phenylene diamine; paraphenylene diamine; 1,4-diamino benzene; para-phenylene diamine; Phenylenediamine, para; JAROCOL PPD; 1,4 phenylene diamine; PubChem22180; ACMC-1CUCB; WLN: ZR DZ; Epitope ID:114080; EC 203-404-7; SCHEMBL27981; 1,4-DIAMINO-BENZENE; PARA PHENYLENE DIAMINE; 1,4-Phenylenediamine-13N2; KSC174M0N; HSDB 6256 (Salt/Mix); CHEMBL403741; DTXSID9021138; CTK0H4606; NSC4777; ATTERCOP-CHM AT126215; OTAVA-BB 1509975; C.I. 76076 (Salt/Mix); LABOTEST-BB LTBB002107; ACT07286; NSC-4777; STR01091; ZINC8294962; Tox21_111615; Tox21_201993; Tox21_302943; ANW-15356; BBL011602; LS-402; STL163334; AKOS005716327; p-Phenylenediamine, sublimed, >=99%; Tox21_111615_1; AS00466; DB14141; MCULE-9588027148; NE10526; RTR-013269; TRA0038404; UN 1673; KS-00000V64; p-Phenylenediamine, flakes, >=99.5%; NCGC00159375-03; NCGC00159375-05; NCGC00256482-01; NCGC00259542-01; I809; SC-77433; p-Phenylenediamine, >=99.0% (GC/NT); AB1002877; ST2419110; FT-0606928; P0170; EN300-19064; C19499; Q415024; p-Phenylenediamine [UN1673] [Keep away from food]; p-Phenylenediamine, technical, >=97.0% (GC/NT); 1,4-Phenylenediamine 1000 microg/mL in Acetonitrile; 1,4-Phenylenediamine 2000 microg/mL in Acetonitrile; p-Phenylenediamine [UN1673] [Keep away from food]; F0001-0125; Z426537038; UNII-TJX894Z2PK component CBCKQZAAMUWICA-UHFFFAOYSA-N; 1,4-Benzenediamine; 1,4-Diaminobenzene; 1,4-Phenylenediamine; InChI=1/C6H8N2/c7-5-1-2-6(8)4-3-5/h1-4H,7-8H; p-Phenylenediamine, zone-refined, purified by sublimation, >=99%;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C6H8N2",
"molecular_weight": "108.14",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "7814",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01593",
"RC02214",
"RC02835"
]
},
{
"compound_ID": "D0595",
"name": "1,4-diaminoanthraquinone",
"synonyms": "1,4-Diaminoanthraquinone; 128-95-0; 1,4-diaminoanthracene-9,10-dione; Disperse violet 1; 1,4-Diamino anthraquinone; Krisolamine; 9,10-Anthracenedione, 1,4-diamino-; Grasol Violet R; Seacyl Violet R; Acetate Red Violet R; Setacyl Violet R; Oil Violet R; Disperse Violet K; Gracet Violet 2R; Oracet Violet 2R; Resiren Violet TR; Setile Violet 3R; Amacel heliotrope R; Cibacet Violet 2R; Duranol Violet 2R; Nacelan Violet 4R; Dispersive Violet K; Cibacete Violet 2R; Perliton Violet 3R; Solvent Violet 11; Artisil Violet 2RP; Nyloquinone Violet R; Setacyl Violet P-R; C.I. Disperse Violet 1; Sectacyl Violet propyl; Microsetile Violet 3R; Lurafix Red Violet RN; Celliton Fast Violet R; Celutate Red Violet RH; Fenacet Fast Violet 5R; Celanthrene Red Violet R; Celliton Fast Red Violet; 1,4-Anthraquinonyldiamine; C.I. Disperse Violet 9; Cibacet Violet E2R; Cilla Fast Red Violet RN; Amaplast Red Violet P 2R; Artisil Direct Violet 2RP; Interchem Acetate Violet R; Mideton Fast Red Violet R; Miketon Fast Red Violet R; C.I. Solvent Violet 11; Acetylon Fast Red Violet R; Celliton Fast Red Violet R; Diacelliton Fast Violet 5R; Serisol Brilliant Violet 2R; Celliton Fast Red Violet RN; Supracet Brilliant Violet 3R; 1,4-Diaminoanthrachinon; Interchem Hisperse Violet 2RH; Transetile violet P 3R; C.I. 61100; Acetoquinone Light Heliotrope NL; Celliton Fast Red Violet RNA-CF; Interchem Acetate Red Violet RRLF; UNII-N21HDQ0TKN; 1,4-Diamino-9-10-anthraquinone; 1,4-Diamino-anthraquinone; Duranol Violet 2R, 1,4-diamino-; Anthraquinone, 1,4-diamino-; Interchem Disperse Violet 2RH; CCRIS 5603; 1,4-Diaminoanthrachinon [Czech]; EINECS 204-922-6; NSC 63807; N21HDQ0TKN; CHEMBL86771; 1,4-DIAMINO-9,10-ANTHRACENEDIONE; NSC7833; FBMQNRKSAWNXBT-UHFFFAOYSA-N; 1,4-Diamino-9,10-anthraquinone; 9, 1,4-diamino-; Anthraquinone,4-diamino-; 1,4-diamino-9,10-dihydroanthracene-9,10-dione; Duranol Violet 2R,4-diamino-; WLN: L C666 BV IVJ DZ GZ; Sudan Violet; Cibacet Violet E 2R; 1,4diaminoanthraquinone; Celliton Red Violet RN; 1,4 -diaminoanthraquinone; NCIMech_000274; 1,4 - diaminoanthraquinone; ACMC-1BT23; DSSTox_CID_21252; DSSTox_RID_79664; NCIOpen2_002876; DSSTox_GSID_41252; KSC174S4T; SCHEMBL525762; DTXSID2041252; SCHEMBL13219066; CTK0H4949; FBMQNRKSAWNXBT-UHFFFAOYSA-; Leuco 1,4 Diamino Anthraquinone; 1,4-Diaminoanthra-9,10-quinone; KS-00000Z2R; NSC 7833; NSC-7833; NSC63807; ZINC3902902; Tox21_300683; ANW-19098; BBL034621; BDBM50094895; CCG-35461; MFCD00001224; NSC-63807; SBB057968; STK805481; 1,4-Diaminoanthra-9,10-quinone #; AKOS000119645; 9,10-Dihydroxy-1,4-anthracenediimine; MCULE-9284874552; NE10085; RTR-004036; 1,4-bis(azanyl)anthracene-9,10-dione; NCGC00248139-01; NCGC00254591-01; AC-10621; AS-17181; CAS-128-95-0; LS-20651; NCI60_041728; T543; 1,4-Diaminoanthraquinone (leuco compound); 9,10-dihydroxy-1,4-anthraquinone diimine; DB-041913; TR-004036; D0075; D3539; FT-0606834; ST24026777; ST51007289; 28D950; 4-amino-9-hydroxy-1,10-anthraquinone 1-imine; 1,4-Diaminoanthraquinone, technical grade, 90%; A805883; Q-200081; W-108369; 1,4-Diaminoanthraquinone, technical, >=90% (HPLC); Q27284401; InChI=1/C14H10N2O2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6H,15-16H2;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C14H10N2O2",
"molecular_weight": "238.24",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "31420",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01594",
"RC02215",
"RC02836"
]
},
{
"compound_ID": "D0596",
"name": "1,4-dihydroxyanthracene-9,10-dione",
"synonyms": "Quinizarin; 1,4-Dihydroxyanthraquinone; 81-64-1; 1,4-dihydroxyanthracene-9,10-dione; Quinizarine; Chinizarin; Solvent Orange 86; 1,4-Dihydroxyanthrachinon; Smoke Orange R; 1,4-Dihydroxy-9,10-anthraquinone; Macrolex Orange GG; 9,10-Anthracenedione, 1,4-dihydroxy-; Anthraquinone, 1,4-dihydroxy-; 1,4-Dioxyanthraquinone; 1,4-Dihydroxyanthra-9,10-quinone; 1,4-Doa; C.I. 58050; 1,4-Doa [Russian]; 1,4-Dihydroxy-anthraquinone; UNII-8S496ZV3CS; NSC 15367; NSC 646569; CCRIS 3524; HSDB 5242; 1,4-Dioxyanthraquinone [Russian]; 1,4-DIHYDROXY-9,10-ANTHRACENEDIONE; 1,4-Dihydroxyanthrachinon [Czech]; EINECS 201-368-7; CI 58050; CHEMBL17594; AI3-17616; 8S496ZV3CS; CHEBI:37487; GUEIZVNYDFNHJU-UHFFFAOYSA-N; 9,10-Dihydroxy-1,4-anthraquinone; MFCD00001209; NSC646569; AK155883; 9, 1,4-dihydroxy-; AE-641/02529036; W-104202; 1,4-Dihydroxyanthraquinone, 96%; WLN: L C666 BV IVJ DQ GQ; Quinzarine; Quinizarin, 96%; 103220-12-8; Quinizarin (Sublimed); PubChem10115; 1,4 dihydroxyanthraquinone; ACMC-209uj4; EC 201-368-7; DSSTox_CID_24464; DSSTox_RID_80248; 1,4 Dihydroxy-Anthraquinone; DSSTox_GSID_44464; KSC490O1R; SCHEMBL160038; MEGxp0_001867; SCHEMBL2639287; DTXSID8044464; ACon1_000101; CTK1B4776; CTK1B4777; CTK3J0718; 1,4-Dihydroxyanthraquinone(Crude); 4,9-dihydroxy-1,10-anthraquinone; KS-00000C2P; NSC15367; NSC40899; ZINC3847495; Tox21_302041; ANW-43838; BBL010354; BDBM50240382; CCG-48149; NSC-15367; NSC-40899; NSC229036; SBB069501; STK264108; 1,4-dihydroxy-anthracene-9,10-dione; AKOS001595052; 1,4-Dihydroxy-9,10-anthracene-dione; 1,4-Dihydroxyanthra-9,10-quinone #; MCULE-3130863142; NSC-229036; NSC-646569; RTR-031317; TRA0070047; CAS-81-64-1; 1,10-Anthracenedione, 4,9-dihydroxy-; 1,4-Anthracenedione, 9,10-dihydroxy-; NCGC00160196-01; NCGC00160196-02; NCGC00255951-01; AC-11267; AS-14244; K456; LS-20669; NCI60_001089; SC-06850; AB1002106; BB0294638; TR-031317; D0243; FT-0657575; ST24036851; ST50330576; Q906609; SR-01000108129; SR-01000108129-1; SR-01000637713-1; F1565-0160; 1,4-Dihydroxyanthraquinone, purum, >=98.0% (HPLC), powder, red-brown; 38572-74-6; 38572-75-7; InChI=1/C14H8O4/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,15-16;",
"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": "6688",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01595",
"RC02216",
"RC02837"
]
},
{
"compound_ID": "D0597",
"name": "1,4-naphthalenediamine",
"synonyms": "1,4-Naphthalenediamine; Naphthalene-1,4-diamine; 2243-61-0; 1,4-Diaminonaphthalene; CCRIS 6072; 1,4-Naphthylenediamine; 1,4-Naphthalene diamine; EINECS 218-816-2; BRN 2803026; 1,4-Naphthylendiamin; ACMC-20ap2m; DSSTox_CID_5696; (4-amino-1-naphthyl)amine; DSSTox_RID_77885; DSSTox_GSID_25696; 4-13-00-00338 (Beilstein Handbook Reference); SCHEMBL201893; 1,4-Diaminonaphthalene, 97%; CHEMBL3183071; DTXSID6025696; CTK1A2297; OKBVMLGZPNDWJK-UHFFFAOYSA-N; ZX-CM011436; Tox21_202900; ZINC26481333; AKOS022185645; ACM2243610; FCH1122452; LS-1022; MCULE-6550730089; NCGC00260446-01; AS-57773; CAS-2243-61-0; TC-172165; FT-0737124; W-8577; A816205; J-014716;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C10H10N2",
"molecular_weight": "158.2",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "16719",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01596",
"RC02217",
"RC02838"
]
},
{
"compound_ID": "D0598",
"name": "1,5-naphthalenediamine",
"synonyms": "1,5-Diaminonaphthalene; 1,5-NAPHTHALENEDIAMINE; 2243-62-1; naphthalene-1,5-diamine; 1,5-Naphthylenediamine; NCI-C03021; 1,5-Napthalenediamine; 1,5-diamino naphthalene; UNII-13PD3J52LK; CCRIS 422; HSDB 4118; EINECS 218-817-8; NSC 401110; BRN 0907947; 13PD3J52LK; 1,5-Diaminonaphthalene, 97%; CHEBI:53003; KQSABULTKYLFEV-UHFFFAOYSA-N; NCGC00091284-03; W-107473; MFCD00004029; 1,5-naphthylendiamin; 1,5-diaminonaphtalene; DSSTox_CID_916; ACMC-1CRP7; 1,5-Naphthalene-di-amine; EC 218-817-8; DSSTox_RID_75863; WLN: L66J BZ GZ; DSSTox_GSID_20916; SCHEMBL48843; 4-13-00-00340 (Beilstein Handbook Reference); CHEMBL538965; NAP025; DTXSID3020916; CTK1A3722; ZINC154653; BB_SC-06767; ZX-AT007627; Tox21_400040; ANW-24875; BBL000009; CN0016; NSC401110; SBB056788; STK370413; AKOS003617743; AC-8269; ACM2243621; FCH1115692; LS-1023; LS41196; MCULE-9893538941; NSC-401110; OR60078; PS-5599; RTR-010561; TRA0081669; KS-0000175L; NCGC00091284-01; NCGC00091284-02; NCGC00091284-04; NCGC00091284-05; CC-03414; CAS-2243-62-1; AX8054869; DB-038118; ST2419741; TR-010561; D0101; FT-0606949; ST50824693; T6921; V0625; C19463; AB01332474-02; A816206; C-03797; Q2191535; F0020-1999; 1,5-Diaminonaphthalene, matrix substance for MALDI-MS, >=99.0% (HPLC); InChI=1/C10H10N2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1-6H,11-12H;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C10H10N2",
"molecular_weight": "158.2",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "16720",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01597",
"RC02218",
"RC02839"
]
},
{
"compound_ID": "D0599",
"name": "1,8-dihydroxy-4,5-dinitroanthraquinone",
"synonyms": "1,8-DIHYDROXY-4,5-DINITROANTHRAQUINONE; 81-55-0; 4,5-Dinitrochrysazin; 1,8-Dinitro-4,5-dihydroxyanthraquinone; 9,10-Anthracenedione, 1,8-dihydroxy-4,5-dinitro-; 1,8-Dihydroxy-4,5-dinitroanthracene-9,10-dione; NCI-C60742; UNII-HEO6302D6D; NSC 81256; CCRIS 4796; 4,5-Dihydroxy-1,8-dinitroanthraquinone; Anthraquinone, 1,8-dihydroxy-4,5-dinitro-; EINECS 201-360-3; BRN 2182054; AI3-62955; HEO6302D6D; GJCHQJDEYFYWER-UHFFFAOYSA-N; 1,8-Dihydroxy-4,5-dinitro-9,10-anthracenedione; 9,10-Anthracenedione,1,8-dihydroxy-4,5-dinitro-; 1,8-Dihydroxy-4,5-dinitro Anthraquinone; Q-200091; 1,8-dihydroxy-4,5-dinitro-9,10-dihydroanthracene-9,10-dione; 1,8-Dihydroxy-4,5-dinitroanthra-9,10-quinone; 4,5-dihydroxy-1,8-dinitroanthracene-9,10-dione; NSC81256; 1,8-dihydroxy-4,5-dinitro-anthraquinone; 4,8-dinitroanthraquinone; ACMC-1BJN5; DSSTox_CID_5076; Chrysazin, 4,5-dinitro-; DSSTox_RID_77653; DSSTox_GSID_25076; 0-08-00-00460 (Beilstein Handbook Reference); SCHEMBL186885; CHEMBL1535689; DTXSID0025076; CTK5E8896; NCI-C-60742; ZINC4786935; 9, 1,8-dihydroxy-4,5-dinitro-; Tox21_200725; ANW-37450; MFCD00019149; NSC-81256; SBB006491; AKOS015856377; LS-1810; MCULE-8146603673; 4,5-dinitro-1,8-dihydroxyanthraquinone; Anthraquinone,8-dihydroxy-4,5-dinitro-; CAS-81-55-0; KS-0000123X; NCGC00091217-01; NCGC00091217-02; NCGC00091217-03; NCGC00091217-04; NCGC00258279-01; AC-11721; AS-67364; SC-78067; ST057725; DB-056537; TR-025627; WLN: L C666 BVIVJ DQ GNW KNW NQ; D2697; FT-0631367; V0438; 1,8-Dihydroxy-4,5-dinitroanthraquinone, 97%; 1,8-Dihydroxy-4,5-dinitroanthra-9,10-quinone #; C-58056; SR-01000323862; SR-01000323862-1; Q27279889; UNII-3HM851OD2N component GJCHQJDEYFYWER-UHFFFAOYSA-N; InChI=1/C14H6N2O8/c17-7-3-1-5(15(21)22)9-11(7)14(20)12-8(18)4-2-6(16(23)24)10(12)13(9)19/h1-4,17-18;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C14H6N2O8",
"molecular_weight": "330.21",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "3378440",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01598",
"RC02219",
"RC02840"
]
},
{
"compound_ID": "D0600",
"name": "10-chloro-9-anthraldehyde",
"synonyms": "10-Chloro-9-anthraldehyde; 10-Chloroanthracene-9-carbaldehyde; 10527-16-9; UNII-7RQ1N54G12; SHYBXXMECBHHFH-UHFFFAOYSA-N; 7RQ1N54G12; 10-Chloro-9-anthracenecarbaldehyde; 9-Anthracenecarboxaldehyde,10-chloro-; EINECS 234-086-8; ACMC-1BO3D; DSSTox_CID_28473; DSSTox_RID_83277; DSSTox_GSID_49202; 9-chloro-10-formylanthracene; 9-Anthraldehyde, 10-chloro-; SCHEMBL1616239; CHEMBL3187654; DTXSID8049202; CTK4A3709; ZINC165635; 10-Chloro-9-anthraldehyde, 97%; 10 -chloroanthracene-9-carbaldehyde; 10-chloro-anthracene-9-carbaldehyde; Tox21_202962; 10-Chloro-9-anthracenecarbaldehyde #; AKOS003617823; MCULE-7544653457; NE22303; VZ21661; 9-Anthracenecarboxaldehyde, 10-chloro-; NCGC00260508-01; CAS-10527-16-9; TC-172062; FT-0636728; ST51037966; J-001377; Q27268766;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C15H9ClO",
"molecular_weight": "240.68",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "82703",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01599",
"RC02220",
"RC02841"
]
},
{
"compound_ID": "D0601",
"name": "17alpha-ethinylestradiol",
"synonyms": "ethinyl estradiol; Ethynylestradiol; Ethynyl estradiol; ETHINYLESTRADIOL; 57-63-6; Ethinyloestradiol; Ginestrene; 17-Ethinylestradiol; Progynon C; Ethinoral; Eticyclin; Eticyclol; Etinestrol; Etinestryl; Etinoestryl; Etistradiol; Follicoral; Novestrol; Orestralyn; Spanestrin; Amenoron; Dyloform; Ertonyl; Estigyn; Estinyl; Estoral; Estorals; Ethidol; Inestra; Linoral; Lynoral; Menolyn; Oradiol; Primogyn; Esteed; 17alpha-Ethynylestradiol; Neo-Estrone; Primogyn C; Primogyn M; Nogest-S; Eston-E; Feminone; Palonyl; Perovex; 17-Ethynylestradiol; Diogyn E; Microfollin; Chee-O-Genf; Chee-O-Gen; 17-Ethinyl-3,17-estradiol; Ethynyloestradiol; 17-Ethinyl-3,17-oestradiol; 17-Ethynyloestradiol; Estoral (Orion); 17alpha-Ethinyl estradiol; Amenorone; Diprol; 17alpha-Ethinylestradiol; Ethinyl-oestranol; Diognat-E; Diogyn-E; Aethinyloestradiolum; Ethinylestriol; Estopherol; Eticylol; Kolpolyn; Orestrayln; Ylestrol; Anovlar; Etivex; Progynon M; Ethinyl E2; Estradiol, 17-ethynyl-; Estoral (VAN); Aethinyoestradiol [German]; 17a-Ethynylestradiol; Etinilestradiol [INN-Spanish]; EE(sub 2); NSC-10973; Etinilestradiolo [DCIT]; 17alpha-Ethynyloestradiol; Ethinylestradiolum [INN-Latin]; 17-alpha-Ethynylestradiol; Ethinyl Estradiol [USP]; 17alpha-Ethinylestradiol-17beta; Ethinylestradiol [INN:BAN:JAN]; ethynyl-estradiol; 17-alpha-Ethynylestradiol-17-beta; 17.alpha.-Ethinylestradiol; 17.alpha.-Ethynylestradiol; Estoral [Orion]; 17-alpha-Ethinyl-17-beta-estradiol; 17.alpha.-Ethynyloestradiol; 17-alpha-Ethynyl-17-beta-oestradiol; CCRIS 286; 17a-Ethinylestradiol; UNII-423D2T571U; HSDB 3587; 17 alpha-ethinyestradiol; Ethinyl estradiol (USP); EINECS 200-342-2; EE; CHEMBL691; OVULEN-21; OVULEN-28; 17-alpha-ethynyl estradiol; 17.alpha.-Ethinyl-17.beta.-estradiol; BRN 2419975; Ethinyloestradiol [Steroidal oestrogens]; 17.alpha.-Ethynyl-17.beta.-oestradiol; Norinyl; AI3-52941; MLS000028479; CHEBI:4903; EE2; EO; Prosexol; BFPYWIDHMRZLRN-SLHNCBLASA-N; 17-Ethynyl-3,17-dihydroxy-1,3,5-oestratriene; 19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol, (17alpha)-; 17.alpha.-Ethynylestradiol-l7.beta.; 17-alpha-Ethynyl-1,3,5-oestratriene-3,17-beta-diol; 423D2T571U; (8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol; 17.alpha.-Ethynyloestradiol-17.beta.; 17alpha-ethinylestra-1,3,5(10)-triene-3,17beta-diol; 17alpha-ethinyloestra-1,3,5(10)-triene-3,17beta-diol; 17-alpha-Ethinylestra-1,3,5(10)-triene-3,17-beta-diol; 17-alpha-Ethynyl-1,3,5(10)-estratriene-3,17-beta-diol; NCGC00091533-04; Etinilestradiol; 17-alpha-Ethinyloestra-1,3,5(10)-triene-3,17-beta-diol; 17-alpha-Ethynyl-1,3,5(10)-oestratriene-3,17-beta-diol; 17alpha-Ethinyl-3,17-dihydroxy-delta(sup1,3,5)-estratriene; 17alpha-ethinyl-3,17-dihydroxy-delta(sup1,3,5)oestratriene; 3,17beta-Dihydroxy-17alpha-ethynyl-1,3,5(10)-estratriene; 3,17beta-Dihydroxy-17alpha-ethynyl-1,3,5(10)-oestratriene; Certostat; Estra-1,3,5(10)-triene-3,17beta-diol, 17alpha-ethynyl-; Ethinylestradiol, 98%; SMR000058319; 17-alpha-Ethinyl-3,17-dihydroxy-delta(sup 1,3,5)-estratriene; 19-Nor-17alpha-pregna-1,3,5(10)-trien-20-yne-3,17-diol; 3,17-beta-Dihydroxy-17-alpha-ethynyl-1,3,5(10)-estratriene; 3,17-beta-Dihydroxy-17-alpha-ethynyl-1,3,5(10)-oestratriene; Estra-1,3,5(10)-triene-3,17-beta-diol, 17-alpha-ethynyl-; Etinilestradiolo; (17-alpha)-19-Norpregna-1,3,5(10)-trien-20-yne-3,17,diol; 17alpha-ethinyl-delta(sup1,3,5(10))oestratriene-3,17-beta -diol; 17alpha-Ethynyloestradiol-17beta; 17beta-Estradiol, 17-ethynyl-; 19-Nor-17-alpha-pregna-1,3,5(10)-triene-20-yne-3,17-diol; DSSTox_CID_576; Aethinyoestradiol; 17-alpha-Ethinyl-delta(sup 1,3,5(10))oestratriene-3,17-beta-diol; Ethinylestradiolum; Microfollin Forte; DSSTox_RID_75668; DSSTox_GSID_20576; 17alpha-Ethynylestra-1,3,5(10)-triene-3,17beta-diol; (17beta)-17-ethynylestra-1(10),2,4-triene-3,17-diol; 17alpha-ethinyl-estra-1,3,5(10)-triene-3,17beta-diol; (17alpha)-19-norpregna-1,3,5(10)-trien-20-yne-3,17-diol; 19-Nor-17-alpha-pregna-1,3,5(10)-trien-20-yne-3,17-diol; CAS-57-63-6; (1S,10R,11S,14R,15S)-14-ethynyl-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-triene-5,14-diol; (8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol; component of Oracon; component of Ortrel; Estinyl (TN); component of Demulen; Estra-1,5(10)-triene-3,17.beta.-diol, 17-ethynyl-; Estra-1,5[10]-triene-3,17.beta.-diol, 17-ethynyl-; Ylestol; 19-Nor-17.alpha.-pregna-1,5(10)-trien-20-yne-3,17-diol; 19-Nor-17.alpha.-pregna-1,5[10]-trien-20-yne-3,17-diol; 19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol, (17.alpha.)-; ethinyl-estradiol; 17alpha-Ethinyl-17beta-estradiol; component of Ovral; 3WF; Levlen (Salt/Mix); MFCD00003690; Oracon (Salt/Mix); Ortrel (Salt/Mix); Anovlar (Salt/Mix); Desogen (Salt/Mix); 17a-Ethynyloestradiol; Estoral {[Orion]}; Nordette (Salt/Mix); PUBERTAL ETHINYL ESTRADIOL STUDY; Secrovin (Salt/Mix); Seasonale (Salt/Mix); Triphasil (Salt/Mix); 17|A-Ethynylestradiol; Estopherol (Salt/Mix); Seasonique (Salt/Mix); 17-Ethynylestradiol ram; Ortho Evra (Salt/Mix); Tri-Levlen (Salt/Mix); Opera_ID_1808; 17 alpha Ethynylestradiol; 17a-Ethynylestradiol-l7b; 19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol; Ortho-Cyclen (Salt/Mix); 17a-Ethynyloestradiol-17b; SCHEMBL4071; 17a-Ethinyl-17b-estradiol; 17a-Ethynyl-17b-oestradiol; MLS000758274; MLS001424011; BIDD:ER0162; Ethinylestradiol (JP17/INN); GTPL7071; SGCUT00127; DTXSID5020576; HMS2051I19; HMS2235J09; HMS3715J09; 17alpha-Ethynylestradiol, >=98%; 17.beta.-Estradiol, 17-ethynyl-; HY-B0216; NSC10973; to_000048; ZINC3812897; Tox21_111147; Tox21_201291; Tox21_300413; BDBM50187243; LMST02010036; LS-231; s1625; SBB066068; 17|A-Ethynylestradiol;Ethynylestradiol; AKOS015894925; Tox21_111147_1; AC-2169; CCG-100819; CS-2161; DB00977; KS-5257; MCULE-5991854877; NC00069; 17.alpha.-ethinyl-3,3,5)oestratriene; 17.alpha.-Ethinyl-3,3,5)-estratriene; NCGC00091533-01; NCGC00091533-05; NCGC00091533-07; NCGC00091533-08; NCGC00091533-09; NCGC00091533-10; NCGC00254514-01; NCGC00258843-01; NCI60_000234; ST081364; AB2000171; 392-EP2270017A1; 392-EP2272846A1; 392-EP2275422A1; 392-EP2277622A1; 392-EP2281816A1; 392-EP2308866A1; 392-EP2372017A1; 392-EP2374791A1; FT-0625736; 17-Ethynyl-3-17-dihydroxy-1,5-oestratriene; 17alpha-Ethynylestradiol, >=98.0% (HPLC); C07534; D00554; EN300-119516; 17-Ethynyl-3-17-dihydroxy-1,3,5-oestratriene; AB00441335-11; AB00441335_12; WLN: L E5 B666TTT&J E1 FQ F1UU1 OQ; 003E690; Q415563; SR-01000721903; 17-Ethynylestra-1,3,5(10)-triene-3,17beta-diol; 17a-Ethinylestradiol 100 microg/mL in Acetonitrile; Q-201076; SR-01000721903-3; 17-Ethynyloestra-1,5(10)-triene-3,17.beta.-diol; 17.alpha.-Ethynyl-1,5-estratriene-3,17.beta.-diol; 17.alpha.-Ethynyl-1,5-oestratriene-3,17.beta.-diol; 17alpha-Ethinyl-1,3,5(10)-estratriene-3,17-diol; BRD-K48195008-001-19-9; TRANSGENIC MODEL EVALUATION (ETHINYL ESTRADIOL); 17-Ethynyloestra-1,3,5(10)-triene-3,17.beta.-diol; 17.alpha.-Ethinyl-1,3,5(10)-estratriene-3,17-diol; 17alpha-Ethynyl-1,3,5(10)-estratriene-3,17beta-diol; Z1541638513; (17beta)-17-ethynylestra-1,3,5(10)-triene-3,17-diol; 17.alpha.-ethinylestra-1,5(10)-triene-3,17.beta.-diol; 17.alpha.-ethinyloestra-1,5(10)-triene-3,17.beta.-diol; 17.alpha.-Ethynylestra-1,5(10)-triene-3,17.beta.-diol; 17.alpha.-Ethynyloestra-1,5(10)-triene-3,17.beta.-diol; 17.alpha.-ethinylestra-1,3,5(10)-triene-3,17.beta.-diol; 17.alpha.-ethinyloestra-1,3,5(10)-triene-3,17.beta.-diol; 17.alpha.-Ethynyl-1,3,5(10)-estratriene-3,17.beta.-diol; 17.alpha.-Ethynyl-1,3,5(10)-oestratriene-3,17.beta.-diol; 17.alpha.-Ethynylestra-1,3,5(10)-triene-3,17.beta.-diol; 17.alpha.-Ethynyloestra-1,3,5(10)-triene-3,17.beta.-diol; 17alpha-Ethynylestradiol, VETRANAL(TM), analytical standard; 19-Nor-1,3,5(10),17alpha-pregnatrien-20-yne-3,17-diol; 19-nor-17.alpha.-Pregna-1,5(10)-trien-2-yne-3,17-diol; Estra-1,5(10)-triene-3,17.beta.-diol, 17.alpha.-ethynyl-; 17.alpha.-Ethinyl-3,17-dihydroxy-.delta.(sup1,3,5)-estratriene; 17.alpha.-ethinyl-3,17-dihydroxy-.delta.(sup1,3,5)oestratriene; 19-Nor-17.alpha.-pregna-1,3,5(10)-trien-20-yn-3,17-diol; 19-Nor-17.alpha.-pregna-1,3,5(10)-trien-20-yne-3,17-diol; 19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol, (17a)-; 19-Norpregna-1,5(10)-trien-20-yne-3,17-diol, (17.alpha.)-; 3,17.beta.-Dihydroxy-17.alpha.-ethynyl-1,3,5(10)-estratriene; 3,17.beta.-Dihydroxy-17.alpha.-ethynyl-1,3,5(10)-oestratriene; Estra-1,3,5(10)-triene-3,17.beta.-diol, 17.alpha.-ethynyl-; Ethinylestradiol, European Pharmacopoeia (EP) Reference Standard; 17.alpha.-ethinyl-.delta.(sup1,3,5(10))oestratriene-3,17-.beta. -diol; 17.alpha.-ethinyl-.delta.(sup1,5(10))oestratriene-3,17-.beta.-diol; 19-Nor-17.alpha.-pregna-1,3,5(10)-trien-20-yne-3,17.beta.-diol; Ethinyl estradiol, United States Pharmacopeia (USP) Reference Standard; (9beta,13alpha,14beta,17alpha)-17-ethynylestra-1(10),2,4-triene-3,17-diol; ENDOCRINE DISRUPTOR (ETHINYL ESTRADIOL) (SEE ALSO ETHINYL ESTRADIOL (57-63-6)); Ethinyl Estradiol, Pharmaceutical Secondary Standard; Certified Reference Material; Ethinylestradiol for system suitability, European Pharmacopoeia (EP) Reference Standard; (1S,11S,15S,10R,14R)-14-ethynyl-15-methyltetracyclo[8.7.0.0<2,7>.0<11,15>]hept adeca-2(7),3,5-triene-5,14-diol; (1S,11S,15S,10R,14R)-14-ethynyl-15-methyltetracyclo[8.7.0.0<2,7>.0<11,15>]hept adeca-2,4,6-triene-5,14-diol;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C20H24O2",
"molecular_weight": "296.4",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "5991",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01601",
"RC02222",
"RC02843"
]
},
{
"compound_ID": "D0602",
"name": "1-amino-2,4-dibromoanthraquinone",
"synonyms": "1-AMINO-2,4-DIBROMOANTHRAQUINONE; 81-49-2; Dibromoaminoanthraquinone; 9,10-Anthracenedione, 1-amino-2,4-dibromo-; 2,4-Dibromo-1-anthraquinonylamine; NCI-C55458; 1-amino-2,4-dibromoanthracene-9,10-dione; Anthraquinone, 1-amino-2,4-dibromo-; 1-Amino-2,4-dibromanthrachinon; UNII-RF75O3IKOZ; NSC 3529; CCRIS 5884; HSDB 5241; EINECS 201-354-0; RF75O3IKOZ; BRN 1993373; 1-Amino-2,4-dibromanthrachinon [Czech]; 1-amino-2,4-dibromo-9,10-anthraquinone; 1-Amino-2,4-dibromoanthra-9,10-quinone; AI3-16445; CHEBI:82304; ZINRVIQBCHAZMM-UHFFFAOYSA-N; W-104207; C14H7Br2NO2; DSSTox_CID_52; Anthraquinone,4-dibromo-; DSSTox_RID_79429; DSSTox_GSID_39235; 4-14-00-00444 (Beilstein Handbook Reference); 9, 1-amino-2,4-dibromo-; CHEMBL559749; SCHEMBL3272427; DTXSID4039235; CTK8E3193; l-amino-2,4-dibromoanthraquinone; NSC3529; LS-74; Dibromoaminoanthraquinone (Related); 1-Amino-2, 4-dibromoanthraquinone; NSC-3529; ZINC3873982; Tox21_202582; BBL013158; MFCD00019155; STK803590; AKOS000668885; MCULE-1430116078; CAS-81-49-2; NCGC00260131-01; WLN: L C666 BV IVJ DZ EE GE; AC-13906; AS-61164; U138; 1-AMINO-2,4-DIBROMOANTHRA-QUINONE; 1-amino-2,4-dibromo-9,10-Anthracenedione; DB-056532; TR-031304; FT-0607312; ST50409824; C19211; AE-641/00127034; C-58057; Q27155867; 1-amino-2,4-dibromo-9,10-dihydroanthracene-9,10-dione;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C14H7Br2NO2",
"molecular_weight": "381.02",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "6681",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01602",
"RC02223",
"RC02844"
]
},
{
"compound_ID": "D0603",
"name": "1-amino-2-methylanthraquinone",
"synonyms": "1-AMINO-2-METHYLANTHRAQUINONE; 82-28-0; Disperse Orange 11; Disperse Orange; 1-amino-2-methylanthracene-9,10-dione; Cilla Orange R; Duranol Orange G; Celliton Orange R; Supracet Orange R; Serisol Orange YL; Perliton Orange 3R; Artisil Orange 3RP; Microsetile Orange RA; Nyloquinone Orange JR; Acetate Fast Orange R; C.I. Disperse Orange 11; Anthraquinone, 1-amino-2-methyl-; Acetoquinone Light Orange JL; 2-Methyl-1-anthraquinonylamine; 9,10-Anthracenedione, 1-amino-2-methyl-; NCI-C01901; Oranz disperzni 11; Disperse Orange (anthraquinone dye); C.I. 60700; 1-Amino-2-methyl-9,10-anthraquinone; Disperse Orange (VAN); CI Disperse Orange 11; CCRIS 32; UNII-RHN157F30Q; NSC 39943; Oranz disperzni 11 [Czech]; 1-Amino-2-methylanthra-9,10-quinone; NSC 667744; 1-Amino-2-methyl-9,10-anthracenedione; HSDB 4101; EINECS 201-408-3; BRN 0650595; CI 60700; MLS002152851; RHN157F30Q; 1-Amino-2-methyl-anthraquinone; CHEBI:82382; ZLCUIOWQYBYEBG-UHFFFAOYSA-N; NSC667744; 1-amino-2-methyl-9,10-dihydroanthracene-9,10-dione; SMR001224475; DSSTox_CID_57; DSSTox_RID_75339; DSSTox_GSID_20057; CAS-82-28-0; Disperse; Fast Orange R; ACMC-1BKFW; C.I.Disperse Orange 11; 9, 1-amino-2-methyl-; cid_6702; 4-14-00-00496 (Beilstein Handbook Reference); C.I. Dis perse Orange 11; BIDD:GT0778; SCHEMBL591041; 1-Amino-2-methyl anthraquinone; CHEMBL1413787; DTXSID7020057; BDBM76758; CTK3E8303; s439; ALBB-013677; KS-000012RG; NSC39943; ZINC3873990; Tox21_201681; Tox21_302964; ANW-37537; BBL013160; NSC-39943; SBB003232; STK803591; AKOS000120131; LS-1815; MCULE-7925270945; NSC-667744; WLN: L C666 BV IVJ DZ E1; Disperse Orange 11, analytical standard; NCGC00091244-01; NCGC00091244-02; NCGC00091244-03; NCGC00256386-01; NCGC00259230-01; 1-amino-2-methyl-anthracene-9,10-dione; 1-Amino-2-methylanthra-9,10-quinone #; ST055353; VS-03694; 1-azanyl-2-methyl-anthracene-9,10-dione; DB-080712; TR-025740; A1255; EU-0047978; FT-0683766; R1015; C19320; Q27155911; Z57210133;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C15H11NO2",
"molecular_weight": "237.25",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "6702",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01603",
"RC02224",
"RC02845"
]
},
{
"compound_ID": "D0604",
"name": "1-benzyl-1-{[3-(4-chlorophenyl)-5-methyl-1-benzofuran-2-yl]methyl}-3-(2,4,6-trifluorophenyl)urea",
"synonyms": "FR145237; 146011-65-6; DSSTox_CID_28145; DSSTox_RID_82710; DSSTox_GSID_48171; SCHEMBL5500482; CHEMBL3187915; DTXSID6048171; Tox21_303375; NCGC00257446-01; FR 145237; FR-145237; CAS-146011-65-6;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C30H22ClF3N2O2",
"molecular_weight": "535",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "9850056",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01604",
"RC02225",
"RC02846"
]
},
{
"compound_ID": "D0605",
"name": "1-decyl-3-methylimidazolium tetrafluoroborate",
"synonyms": "1-Decyl-3-methylimidazolium tetrafluoroborate; 244193-56-4; Q-102709; [C10MIM][BF4]; DSSTox_CID_27891; DSSTox_RID_82644; DSSTox_GSID_47915; KSC200G6N; SCHEMBL383271; CHEMBL3184484; DTXSID4047915; CTK1A0366; KS-00000ZVH; Tox21_200592; MFCD09038853; ZB1660; AKOS025405478; NCGC00258146-01; ACM244193564; AS-66549; RT-002990; CAS-244193-56-4; D5373; 1-decyl-3-me-thylimidazolium tetrafluoroborate; 1-decyl-3-methylimidazol-3-ium,tetrafluoroborate; 1-decyl-3-methylimidazol-3-ium;tetrafluoroborate; 1-decyl-3-methyl-1H-imidazol-3-ium tetrafluoroborate; 1-decyl-3-methyl-1H-imidazol-3-ium; tetrafluoroboranuide;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C14H27BF4N2",
"molecular_weight": "310.18",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "11461044",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01605",
"RC02226",
"RC02847"
]
},
{
"compound_ID": "D0606",
"name": "1-decyl-3-methylimidazolium trifluoromethanesulfonate",
"synonyms": "1-Decyl-3-methylimidazolium trifluoromethanesulfonate; 412009-62-2; 1-DECYL-3-METHYLIMIDAZOLIUM TRIFLATE; DSSTox_CID_27892; DSSTox_RID_82645; DSSTox_GSID_47916; SCHEMBL318766; CHEMBL3182886; DTXSID9047916; YFLIZKWXKVXRES-UHFFFAOYSA-M; Tox21_200593; NCGC00248752-01; NCGC00258147-01; CAS-412009-62-2;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C15H27F3N2O3S",
"molecular_weight": "372.4",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "22239085",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01606",
"RC02227",
"RC02848"
]
},
{
"compound_ID": "D0607",
"name": "1-dodecyl-3-methylimidazolium hexafluorophosphate",
"synonyms": "1-Dodecyl-3-methylimidazolium hexafluorophosphate; 219947-93-0; DSSTox_CID_27895; DSSTox_RID_82648; DSSTox_GSID_47919; KSC496M8R; CHEMBL3187264; DTXSID4047919; CTK3J6688; KS-00000ZRO; Tox21_200596; ZB1675; AKOS030228352; NCGC00248754-01; NCGC00258150-01; AK402421; RT-003189; CAS-219947-93-0; Q-102688; 1-Dodecyl-3-methyl-1H-imidazol-3-ium hexafluorophosphate(V);",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C16H31F6N2P",
"molecular_weight": "396.39",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "10250129",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01607",
"RC02228",
"RC02849"
]
},
{
"compound_ID": "D0608",
"name": "1-fluoro-2,4-dinitrobenzene",
"synonyms": "2,4-Dinitrofluorobenzene; 1-FLUORO-2,4-DINITROBENZENE; 70-34-8; FDNB; Dinitrofluorobenzene; DNFB; 2,4-Dinitro-1-fluorobenzene; Sanger's Reagent; Fluoro-2,4-dinitrobenzene; 2,4-Dinitrobenzenefluoride; 2,4-Dinitrophenyl fluoride; Fluorodinitrobenzene; Benzene, 1-fluoro-2,4-dinitro-; 2,4-Dinitrobenzene fluoride; 2,4-DNFB; 1-fluoro-2,4-dinitro-benzene; Benzene, 2,4-dinitro-1-fluoro-; DFB (VAN); Fluorodinitrobenzene (VAN); 1,2,4-Fluorodinitrobenzene; NSC 33519; CCRIS 1800; UNII-D241E059U6; HSDB 4342; EINECS 200-734-3; BRN 0398632; AI3-52653; CHEBI:53049; LOTKRQAVGJMPNV-UHFFFAOYSA-N; D241E059U6; NCGC00091810-01; 2,4-Dinitrofluorobenzene (Sanger's reagent); DSSTox_CID_5331; DSSTox_RID_77753; DSSTox_GSID_25331; 2,4-Dinitrofluorobenzene, 98%; CAS-70-34-8; PubChem4416; 2,4-dinitrofluorbenzene; 2,4-dinitroflurobenzene; 2.4-dinitrofluorobenzene; 1,4-Fluorodinitrobenzene; WLN: WNR BF ENW; 2,4-dinitriofluorobenzene; 2,4-dinitrophenylfluoride; 2,4,-dinitrofluorobenzene; 2,4-dinitro fluorobenzene; 2,4-dinitro-1fluorbenzen; 2,4-dinitro-fluorobenzene; 2,4-dinitrofluoro-benzene; ACMC-209oe5; 2,4-dinitro-1-fluorbenzen; 1-fluoro-2,4-dinitrobenzen; SCHEMBL35276; 4-05-00-00742 (Beilstein Handbook Reference); Benzene,4-dinitro-1-fluoro-; CHEMBL167423; DTXSID8025331; CTK3J3799; NSC33519; ZINC1665741; Tox21_111168; Tox21_200352; ANW-35883; KM1338; MFCD00007056; NSC-33519; SBB058863; STL453587; AKOS003652319; LS-1598; MCULE-5865335842; RTR-032489; 1-Fluoro-2,4-dinitrobenzene, >=99%; KS-0000114W; NCGC00091810-02; NCGC00257906-01; AC-10113; AS-12796; BP-13262; SC-06412; TR-032489; D0835; ST50826753; 70D348; 1-Fluoro-2,4-dinitrobenzene, >=99.0% (GC); 141689-EP2277875A2; 141689-EP2292630A1; Q161623; F0850-6563; 1-Fluoro-2,4-dinitrobenzene, purum p.a., >=98.0% (GC); 1-Fluoro-2,4-dinitrobenzene, for HPLC derivatization, >=99.0% (GC); InChI=1/C6H3FN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3; 369-18-6;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C6H3FN2O4",
"molecular_weight": "186.1",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "6264",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01608",
"RC02229",
"RC02850"
]
},
{
"compound_ID": "D0609",
"name": "1h,3h-naphtho(1,8-cd)pyran-1,3-dione",
"synonyms": "1,8-Naphthalic anhydride; 81-84-5; Benzo[de]isochromene-1,3-dione; Naphthalic anhydride; Protect; Naphthalic acid anhydride; 1,8-Naphthalic acid anhydride; 1H,3H-Naphtho[1,8-cd]pyran-1,3-dione; Pakarli; Protect (agrochemical); 1,8-Naphthalenedicarboxylic anhydride; Naphthalene-1,8-dicarboxylic anhydride; 1H,3H-Benzo[de]isochromene-1,3-dione; 1,8-Naphthalenedicarboxylic acid anhydride; 1H,3H-Naphtho(1,8-cd)pyran-1,3-dione; NSC 5747; UNII-32RS852X55; HSDB 7371; 1,8-Naphthalene dicarboxylic acid; EINECS 201-380-2; BRN 0153190; Naphtho[1,8,8a-c,d]pyran-1,3-dione; AI3-09071; CHEMBL316059; Naphthalene-1,8-dicarboxylic acid anhydride; CHEBI:82246; Naphthalic anhydride (7CI,8CI); GRSMWKLPSNHDHA-UHFFFAOYSA-N; 32RS852X55; 34314-32-4; 1,8-Naphthalic anhydride, 97%; MFCD00006925; 1,8-naphthalicanhydride; 1,8-Naphthoic anhydride; DSSTox_CID_6505; 1,8-Naphthanoic anhydride; EC 201-380-2; DSSTox_RID_78127; DSSTox_GSID_26505; SCHEMBL30415; 1H,3H-Naphtho(1,8-cd)pyran-1,3-dione (9CI); 5-17-11-00492 (Beilstein Handbook Reference); KSC917Q1L; 1H,8-cd]pyran-1,3-dione; DTXSID4026505; CTK8B7815; NSC5747; WLN: T666 1A M CVOVJ; EBD50019; KS-00000WS2; NSC-5747; STR00696; ZINC8457049; Tox21_200045; ANW-58687; BBL013053; BDBM50146058; SBB061435; STK301830; Naphthalenedicarboxylic-1,8-anhydride; 1,8-naphthalene dicarboxylic anhydride; AKOS000119799; MCULE-8718069449; NE10462; PS-4566; RTR-031063; CAS-81-84-5; NCGC00248503-01; NCGC00257599-01; AC-19760; LS-95107; SC-23339; 1H,3H-Benzo[de]isochromene-1,3-dione #; AB1003406; DB-056557; ST2419122; TR-031063; FT-0607054; N0022; ST45061720; C19125; AK-968/40208880; Q424800; Q-200092; F0001-2093; 3-oxatricyclo[7.3.1.0?,??]trideca-1(13),5,7,9,11-pentaene-2,4-dione; 3-oxatricyclo[7.3.1.0,(1)(3)]trideca-1(13),5,7,9,11-pentaene-2,4-dione; 3-oxatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaene-2,4-dione; InChI=1/C12H6O3/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(14)15-11/h1-6;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C12H6O3",
"molecular_weight": "198.17",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "6693",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01609",
"RC02230",
"RC02851"
]
},
{
"compound_ID": "D0610",
"name": "1h-benzo[de]isoquinoline-1,3(2h)-dione",
"synonyms": "1,8-Naphthalimide; Naphthalimide; 81-83-4; 1H-Benzo[de]isoquinoline-1,3(2H)-dione; 1H-Benz[de]isoquinoline-1,3(2H)-dione; 1,8-Naphthalenedicarboximide; Benzo[de]isoquinoline-1,3-dione; UNII-GI0TV19GBN; Naphthalene-1,8-dicarboximide; GI0TV19GBN; CHEMBL339586; XJHABGPPCLHLLV-UHFFFAOYSA-N; 1H-Benz(de)isoquinoline-1,3(2H)-dione; 3ess; 1,8 naphthalimide; 1.8-naphthalimide; EINECS 201-379-7; NSC 11011; Naphthalimide (8CI); EC 201-379-7; 1,8-Naphthalimide, 99%; DSSTox_CID_24731; DSSTox_RID_80428; DSSTox_GSID_44731; Oprea1_068295; Oprea1_308401; SCHEMBL57038; KSC448C0P; SCHEMBL2487811; DTXSID0044731; CTK3E8107; KS-00000WKL; XJHABGPPCLHLLV-UHFFFAOYSA-; ZINC24215; HMS1607L09; BTB12933; NSC11011; STR06670; 1,3-dioxo-1H-benz[de]isoquinoline; Tox21_301585; BBL013164; BDBM50106194; MFCD00006920; NSC-11011; SBB038560; STK874285; AKOS000266805; MCULE-8827702793; CAS-81-83-4; 1,2-Dihydrobenzo[cd]indol-2-one, tech; NCGC00256025-01; AC-10624; K912; 1H-Benzo[de]isoquinoline-1,3(2H)-dione #; FT-0607055; H2950; N0456; ST45024436; 2,3-dihydro-1H-benz[de]isoquinoline-1,3-dione; 2,3-dihydro-1H-benzo[de]isoquinoline-1,3-dione; A840204; Q-200093; Q27279115; 3-azatricyclo[7.3.1.0,(1)(3)]trideca-1(13),5,7,9,11-pentaene-2,4-dione; 3-AZATRICYCLO[7.3.1.0?,(1)(3)]TRIDECA-1(13),5,7,9,11-PENTAENE-2,4-DIONE; InChI=1/C12H7NO2/c14-11-8-5-1-3-7-4-2-6-9(10(7)8)12(15)13-11/h1-6H,(H,13,14,15);",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C12H7NO2",
"molecular_weight": "197.19",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "66491",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01610",
"RC02231",
"RC02852"
]
},
{
"compound_ID": "D0611",
"name": "1h-indole-2-carboxamide, n-[(3r)-1-(2-fluorophenyl)-3,4,6,7-tetrahydro-4-oxopyrrolo[3,2,1-jk][1,4]benzodiazepin-3-yl]-",
"synonyms": "",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "X",
"molecular_weight": "X",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "X",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Others",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01611",
"RC02232",
"RC02853"
]
},
{
"compound_ID": "D0612",
"name": "1-hydroxypyrene",
"synonyms": "1-HYDROXYPYRENE; 5315-79-7; Pyren-1-ol; 1-Pyrenol; pyrenol; 3-Hydroxypyrene; NSC 30968; UNII-N2H6O5V707; CHEBI:34093; BIJNHUAPTJVVNQ-UHFFFAOYSA-N; N2H6O5V707; AK-48313; 1-Hydroxypyrene, 99+%; hydroxypyrene; 3-Oxypyren; 1-Pyrenol (8CI); 1-Hydroxypyrene, 98%; DSSTox_CID_18298; DSSTox_RID_79380; DSSTox_GSID_38298; 1-Pyrenol (8CI)(9CI); BIDD:ER0523; BIDD:GT0133; SCHEMBL218996; CHEMBL3184813; DTXSID1038298; CTK1H2981; KS-00000NI1; NSC30968; ZINC1661473; Tox21_300617; 7535AB; ANW-31645; NSC-30968; Pyren-1-ol;1-Hydroxypyrene1-Pyrenol; AKOS015905692; CS-W014791; TRA-0183714; NCGC00248108-01; NCGC00254432-01; 63021-84-1; CC-04647; DS-14633; CAS-5315-79-7; AX8008494; LS-184258; TX-015965; AM20040642; FT-0607935; ST24049060; ST50825689; A24650; C14519; C-11924; Q21099650; 1-Hydroxypyrene, certified reference material, TraceCERT(R);",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C16H10O",
"molecular_weight": "218.25",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "21387",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01612",
"RC02233",
"RC02854"
]
},
{
"compound_ID": "D0613",
"name": "1-isocyanato-3-(trifluoromethyl)benzene",
"synonyms": "3-(Trifluoromethyl)phenyl isocyanate; 329-01-1; 1-Isocyanato-3-(trifluoromethyl)benzene; Benzene, 1-isocyanato-3-(trifluoromethyl)-; a,a,a-Trifluoro-m-tolyl isocyanate; Isocyanobenzotrifluoride; UNII-QPS7LLZ6XM; 3-TRIFLUOROMETHYLPHENYL ISOCYANATE; 3-Isocyanatobenzotrifluoride; alpha,alpha,alpha-Trifluoro-m-tolyl isocyanate; 3-(Trifluoromethyl)phenylisocyanate; QPS7LLZ6XM; Isocyanic Acid 3-(Trifluoromethyl)phenyl Ester; EINECS 206-341-3; BRN 0744880; alpha,alpha,alpha-Trifluoro-3-tolyl isocyanate; SXJYSIBLFGQAND-UHFFFAOYSA-N; (alpha,alpha,alpha-Trifluoro-m-tolyl) isocyanate; 3-trifluoromethyl phenyl isocyanate; m-(Trifluoromethyl)phenyl isocyanate; ISOCYANIC ACID, (m-TRIFLUOROMETHYLPHENYL) ESTER; Isocyanic acid, alpha,alpha,alpha-trifluoro-m-tolyl ester; 3-(trifluoromethyl)benzenisocyanate; Isocyanic acid, .alpha.,.alpha.,.alpha.-trifluoro-m-tolyl ester; PubChem4998; DSSTox_CID_7143; ACMC-209hx2; EC 206-341-3; trifluoro-m-tolyl isocyanate; DSSTox_RID_78323; DSSTox_GSID_27143; SCHEMBL58454; 4-12-00-01848 (Beilstein Handbook Reference); 3-trifluormethylphenylisocyanat; m-trifluoromethylphenylisocyanate; 3-trifluoromethylphenylisocyanate; 3-trifluoromethyl-phenylisocyanat; CHEMBL1240831; DTXSID0027143; m-trifluoromethylphenyl isocyanate; 3-trifluoromethyl-phenylisocyanate; 3-trifluoromethylphenyl-isocyanate; LABOTEST-BB LTBB004932; m-trifluoromethyl phenyl isocyanate; 3-trifluoromethyl-phenyl isocyanate; 3-trifluoromethyl-phenyl-isocyanate; ALBB-007532; BCP28999; ZINC2040817; 3-(trifluoromethyl)-phenylisocyanate; Tox21_200679; 1-isocyanato-3-trifluoromethylbenzene; ANW-27492; LABOTEST-BB LT03382775; MFCD00002020; SBB058899; STK504601; 3-(Trifluoromethyl) phenyl isocyanate; 3-(trifluoromethyl)-phenyl isocyanate; (meta-trifluoromethyl-phenyl)isocyanate; 1-isocyanato-3-trifluoromethyl benzene; 1-isocyanato-3-trifluoromethyl-benzene; AKOS000119410; AM62511; AS04339; CM13785; MCULE-3523670232; RTR-013811; 1-(trifluoromethyl)-3-isocyanatobenzene; NCGC00248794-01; NCGC00258233-01; 1-isocyanato-3-(trifluoromethyl)-benzene; BP-12955; CAS-329-01-1; LS-84463; SC-69966; 1-Isocyanato-3-(trifluoromethyl)benzene #; 3-(Trifluoromethyl)phenyl isocyanate, 97%; AB1003475; DB-048295; Isocyanic acid m-trifluoromethylphenyl ester; TR-013811; alpha,alpha,alpha-trifluoro-m-tolyl isocynate; alpha,alpha,alpha-trifluoro-m-tolylisocyanate; alpha,alpha,alpha-trifluro-m-tolyl isocyanate; BB 0256942; FT-0613949; I0340; ST50825267; alpha,alpha,alpha trifluoro-m-tolyl isocyanate; alpha,alpha,alpha,-trifluoro-m-tolylisocyanate; alpha,alpha,alpha-trifluoro-m-tolyl-isocyanate; EN300-20249; alpha, alpha, alpha-trifluoro-m-tolylisocyanate; X-4026; A821509; .alpha.,.alpha.,.alpha.-Trifluoro-3-tolyl isocyanate; .alpha.,.alpha.,.alpha.-Trifluoro-m-tolyl isocyanate; Q27287440; .alpha.,.alpha.,.alpha.-Trifluoro-meta-tolylisocyanate; F1945-0012; m-(Trifluoromethyl)phenyl isocyanate pound>>1-isocyanato-3-(trifluoromethyl)-benzen pound>>a,a,a-Trifluoro-m-tolyl isocyanate;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C8H4F3NO",
"molecular_weight": "187.12",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "9483",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01613",
"RC02234",
"RC02855"
]
},
{
"compound_ID": "D0614",
"name": "1-methyl-3-octylimidazolium hexafluorophosphate",
"synonyms": "304680-36-2; 1-Methyl-3-n-octylimidazolium Hexafluorophosphate; 1-Methyl-3-octylimidazolium hexafluorophosphate; 3-METHYL-1-OCTYLIMIDAZOLIUM HEXAFLUOROPHOSPHATE; 1-octyl-3-methylimidazolium hexafluorophosphate; 1-Methyl-3-n-octylimidazoliumHexafluorophosphate; 1-Octyl-3-methylimidazolium hexafluorophosphate, 98+%; ACMC-20aj2z; DSSTox_CID_27928; DSSTox_RID_82681; DSSTox_GSID_47952; KSC222C5L; 3-METHYL-1-OCTYLIMIDAZOLIUMHEXAFLUOROPHOSPHATE; CHEMBL595682; DTXSID5047952; SCHEMBL20582156; CTK1C2155; KS-00000WZ1; n-octylpyridinium hexafluorophosphate; Tox21_200768; ANW-26881; ANW-75657; MFCD06798203; AKOS015898232; AKOS025402722; NSC-747265; RTR-013088; TRA0079021; NCGC00248974-01; NCGC00258322-01; AK176264; AS-71709; AT-39274; SC-07673; SY039371; AB1010982; TC-164402; TR-013088; CAS-304680-36-2; M2063; 1-n-octyl-3-methylimidazolium hexafluorophosphate; 1-methyl-3-octylimidazol-1-ium,hexafluorophosphate; Q-102685; 1-Methyl-3-octylimidazolium hexafluorophosphate, >=95.0%; 3-Methyl-1-octyl-1H-imidazol-3-ium hexafluoridophosphate(1-); 1-methyl-3-octyl-1H-imidazol-3-ium; hexafluoro-??-phosphanuide; 1H-Imidazolium, 1-methyl-3-octyl-, hexafluorophosphate(1-) (1:1);",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C12H23F6N2P",
"molecular_weight": "340.29",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "2734243",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01614",
"RC02235",
"RC02856"
]
},
{
"compound_ID": "D0615",
"name": "1-methyl-3-octylimidazolium tetrafluoroborate",
"synonyms": "244193-52-0; 1-Methyl-3-octylimidazolium tetrafluoroborate; 1-Methyl-3-n-octylimidazolium tetrafluoroborate; OMIMBF4; 3-METHYL-1-OCTYLIMIDAZOLIUM TETRAFLUOROBORATE; 1-octyl-3-methylimidazolium tetrafluoroborate; DSSTox_CID_27919; DSSTox_RID_82672; DSSTox_GSID_47943; 3-METHYL-1-OCTYLIMIDAZOLIUMTETRAFLUOROBORATE; SCHEMBL193364; CHEMBL609570; DTXSID6047943; CTK1A0365; KS-00000VC7; Tox21_200695; ANW-25440; MFCD03095434; AKOS015898217; NSC-747266; TRA0037233; NCGC00258249-01; AK176238; AS-67294; SY033842; RT-003196; CAS-244193-52-0; M2732; 1-methyl-3-octylimidazol-1-ium,tetrafluoroborate; 1-methyl-3-octyl-1H-imidazol-3-ium; tetrafluoroboranuide; 1-Methyl-3-octylimidazolium tetrafluoroborate, >=97.0% (HPLC);",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C12H23BF4N2",
"molecular_weight": "282.13",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "11460221",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01615",
"RC02236",
"RC02857"
]
},
{
"compound_ID": "D0616",
"name": "1-methyl-3-octylimidazolium trifluoromethanesulfonate",
"synonyms": "403842-84-2; 1-Methyl-3-octylimidazolium trifluoromethanesulfonate; 1-Methyl-3-n-octylimidazolium Trifluoromethanesulfonate; 1-octyl-3-methylimidazolium trifluoromethanesulfonate; DSSTox_CID_27922; DSSTox_RID_82675; DSSTox_GSID_47946; SCHEMBL1331128; CHEMBL3186420; DTXSID1047946; CTK8E3274; Tox21_200708; MFCD06411717; AKOS015912464; 1-Methyl-3-n-octylimidazolium Triflate; TRA0031507; NCGC00248970-01; NCGC00258262-01; AS-69882; RT-006344; CAS-403842-84-2; M2440; 1-methyl-3-octyl-1H-imidazol-3-ium trifluoromethanesulfonate; 1-Methyl-3-octylimidazolium trifluoromethanesulfonate, >=97.0%;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C13H23F3N2O3S",
"molecular_weight": "344.4",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "16212746",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01616",
"RC02237",
"RC02858"
]
},
{
"compound_ID": "D0617",
"name": "1-methylpyrene",
"synonyms": "1-METHYLPYRENE; 2381-21-7; Pyrene, 1-methyl-; Pyrene, methyl-; 3-Methylpyrene; 1-Methyl pyrene; METHYLPYRENE; UNII-AB8420OXQA; CCRIS 6066; HSDB 2162; EINECS 219-178-8; NSC 90776; BRN 1868500; AB8420OXQA; KBSPJIWZDWBDGM-UHFFFAOYSA-N; 1-Methylpyren; Pyrene, 3-methyl; FR-0080; ACMC-1CGME; DSSTox_CID_5654; DSSTox_RID_77870; DSSTox_GSID_25654; 27577-90-8; MLS002415673; CHEMBL1325152; DTXSID0025654; KBSPJIWZDWBDGM-UHFFFAOYSA-; HMS3039G09; NSC90776; ZINC1581009; Tox21_200154; ANW-25231; NSC-90776; AKOS015842510; ACM2381217; ACM2381717; CM-2290; NCGC00091864-01; NCGC00091864-02; NCGC00257708-01; AS-48204; SMR001370871; CAS-2381-21-7; 1-Methylpyrene 10 microg/mL in Cyclohexane; AX8059660; DB-046254; TR-011029; FT-0616177; M0620; ST45022246; KS-00001691; 381M217; C-51751; Q27273843; 1-Methylpyrene, suitable for fluorescence, >=97.0% (GC); 2381-71-7; InChI=1/C17H12/c1-11-5-6-14-8-7-12-3-2-4-13-9-10-15(11)17(14)16(12)13/h2-10H,1H3;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C17H12",
"molecular_weight": "216.28",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "16932",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01617",
"RC02238",
"RC02859"
]
},
{
"compound_ID": "D0618",
"name": "1-naphthol",
"synonyms": "1-NAPHTHOL; naphthalen-1-ol; 90-15-3; 1-Naphthalenol; alpha-naphthol; 1-Hydroxynaphthalene; NAPHTHOL; Fouramine ERN; Fourrine ERN; Tertral ERN; Furro ER; Basf Ursol ERN; Ursol ERN; Fourrine 99; Nako TRB; Zoba ERN; Durafur developer D; alpha-Hydroxynaphthalene; Naphthalenol; C.I. Oxidation Base 33; .alpha.-Naphthol; 1-Naphthyl alcohol; NSC 9586; C.I. 76605; CCRIS 1172; CI Oxidation Base 33; HSDB 2650; .alpha.-Hydroxynaphthalene; 1-napthol; EINECS 201-969-4; UNII-2A71EAQ389; CI 76605; CHEBI:10319; AI3-00106; 1321-67-1; WLN: L66J BQ; CHEMBL122617; SGCUT00118; NSC9586; KJCVRFUGPWSIIH-UHFFFAOYSA-N; 2A71EAQ389; to_000072; MFCD00003930; LS-95401; 1-Naphthol, 99+%; DSSTox_CID_1793; C11714; DSSTox_RID_76330; DSSTox_GSID_21793; AB-131/40232333; Naphthol-1; Naphthyl-1-ol; CAS-90-15-3; alpha-Naphthyl alcohol; napthalenol; alpha naphthol; alpha-napthol; napthyl alcohol; hydroxynaphthalene; naphthalene-1-ol; Naphthol 1; 1-Naphtol; 8 -naphthol; hydroxy naphthalene; (+)-naphthol; 1NP; nchembio791-comp4; Naphth-1-ol, 9; PubChem16938; ACMC-20ait6; SCHEMBL3416; alpha-Naphthol, 1-Naphthol; KSC179K6D; 33420_RIEDEL; 35825_RIEDEL; N1000_SIAL; N2780_SIAL; 1-Naphthol, Pure PA, 99%; 1-Naphthol, LR, >=99%; DTXSID6021793; 70438_FLUKA; 70442_FLUKA; BDBM23450; CTK0H9561; 1-Naphthol, BioXtra, >=99%; 4b33; 1-Naphthol, p.a., 99.0%; ACT07473; HY-Y1309; NSC-9586; ZINC4292977; Tox21_202120; Tox21_302768; 1-Naphthol, >=98.0% (GC); ANW-75304; BBL011611; SBB040845; STL163337; ZINC00967929; AKOS000118822; CS-W020125; EBD2205191; GS-6917; MCULE-2825050946; QC-1267; RTR-028364; 1-Naphthol 100 microg/mL in Methanol; 1-Naphthol, ReagentPlus(R), >=99%; Duloxetine EP Impurity D (1-Naphthol); NCGC00249169-01; NCGC00256563-01; NCGC00259669-01; AK-44442; ST2413618; ST5214429; TR-028364; 1-Naphthol, SAJ special grade, >=99.0%; 1-Naphthol, Vetec(TM) reagent grade, 98%; FT-0608111; N0026; N0864; ST50214429; 1-Naphthol, PESTANAL(R), analytical standard; M-5886; A843458; Q408876; J-610055; 1-Naphthol, certified reference material, TraceCERT(R); 1-Naphthol, puriss., for fluorescence, >=99.0% (GC); F1908-0108; Z1262254359; 1-Naphthol, puriss. p.a., Reag. Ph. Eur., >=99% (GC); 1-Naphthol; 1-Naphthalenol; 1-Hydroxynaphthalene; 1-Naphthyl Alcohol; Hydroxynaphthalene; InChI=1/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11; 50356-21-3;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C10H8O",
"molecular_weight": "144.17",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "7005",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01618",
"RC02239",
"RC02860"
]
},
{
"compound_ID": "D0619",
"name": "1-nitronaphthalene",
"synonyms": "1-NITRONAPHTHALENE; 86-57-7; Nitrol; Naphthalene, 1-nitro-; alpha-Nitronaphthalene; Nitrol (pesticide); Naphthalene, nitro-; Mononitronaphthalene; NITRONAPHTHALENE; 1-Nitronaftalen; 1-Nitronaphthaline; NCI-C01956; Nitrol (VAN); Naphthalene, mononitro-; .alpha.-Nitronaphthalene; 1-Nitronaftalen [Czech]; Naphthalene, alpha-nitro-; UNII-A51NP1DL2T; CCRIS 450; 1-Nitro-Naphthalene; HSDB 2887; NSC 9584; EINECS 201-684-5; UN2538; BRN 1867714; A51NP1DL2T; AI3-00477; 27254-36-0; CHEBI:34104; RJKGJBPXVHTNJL-UHFFFAOYSA-N; DSSTox_CID_978; DSSTox_RID_75901; DSSTox_GSID_20978; CAS-86-57-7; Nitronaphthalin; nitro-naphthalene; 1-nitronapthalene; alpha-nitro-naphthalene; 1-Nitronaphthalene, 99%; WLN: L66J BNW; ACMC-1CJ12; SCHEMBL57184; KSC204Q5R; CHEMBL165373; DTXSID7020978; CTK1A4858; NSC9584; NSC-9584; STR03423; ZINC1700069; Tox21_201407; Tox21_302759; MFCD00003913; SBB057510; AKOS000120000; LS-1855; MCULE-5592798733; NE10285; RTR-026964; TRA0050251; KS-000011H3; NCGC00091715-01; NCGC00091715-02; NCGC00091715-03; NCGC00256373-01; NCGC00258958-01; AC-29181; LS-94800; SC-74516; DB-056461; DB-056938; TR-026964; FT-0608156; N0212; ST50406229; 1-Nitronaphthalene, purum, >=98.0% (GC); Nitronaphthalene [UN2538] [Flammable solid]; 1-Nitronaphthalene 10 microg/mL in Cyclohexane; A24106; C14040; Nitronaphthalene [UN2538] [Flammable solid]; AE-562/40180003; Q14848739; 1-Nitronaphthalene, BCR(R) certified Reference Material; 1-Nitro-4-phenylbenzene;4-nitro-1-biphenyl;4-nitro-bipheny; InChI=1/C10H7NO2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C10H7NO2",
"molecular_weight": "173.17",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "6849",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01619",
"RC02240",
"RC02861"
]
},
{
"compound_ID": "D0620",
"name": "1-nitropyrene",
"synonyms": "1-NITROPYRENE; 5522-43-0; 3-Nitropyrene; Pyrene, 1-nitro-; Pyrene, nitro-; NITROPYRENE; CCRIS 455; 1-Nitro-pyrene; UNII-TD1665I8Q4; HSDB 6980; EINECS 226-868-2; NSC 81340; BRN 1882811; 1-Nitropyrene [Nitroarenes]; CHEBI:34107; ALRLPDGCPYIVHP-UHFFFAOYSA-N; TD1665I8Q4; 1-Nitropyrene [Polycyclic aromatic compounds]; 1-Nitropyrene, 99%; DSSTox_CID_983; ACMC-1B96I; DSSTox_RID_75905; NCIOpen2_004479; DSSTox_GSID_20983; 63021-86-3; BIDD:ER0532; SCHEMBL339725; CHEMBL167395; DTXSID6020983; CTK1H0615; ZINC157143; NSC81340; Tox21_200066; ANW-32263; NSC-81340; SBB058388; AKOS002384330; LS-1361; MCULE-1661621362; RTR-019475; NCGC00164217-01; NCGC00164217-02; NCGC00257620-01; AK-86325; CC-04910; CAS-5522-43-0; AX8059897; DB-019312; LS-129450; ST2403489; TR-019475; FT-0658253; N0419; ST45023843; W6924; C14421; Y-9043; 522N430; C-30171; 1-Nitropyrene, BCR(R) certified Reference Material; Q4545799;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C16H9NO2",
"molecular_weight": "247.25",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "21694",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01620",
"RC02241",
"RC02862"
]
},
{
"compound_ID": "D0621",
"name": "1-trans-delta-9-tetrahydrocannabinol",
"synonyms": "Dronabinol; TETRAHYDROCANNABINOL; Marinol; delta9-Tetrahydrocannabinol; delta9-THC; Deltanyne; Abbott 40566; 1972-08-3; delta-9-tetrahydrocannabinol; delta-9-THC; delta(9)-THC; Dronabinolum; THC; delta(1)-Tetrahydrocannabinol; delta1-THC; 1-trans-delta-9-Tetrahydrocannabinol; delta(sup 1)-Thc; delta(sup 9)-Thc; Namisol; (-)-delta9-trans-Tetrahydrocannabinol; Dronabinolum [Latin]; 9-tetrahydrocannabinol; delta(9)-Tetrahydrocannabinol; QCD 84924; SP 104; delta1-Tetrahydrocannabinol; 1-trans-delta9-Tetrahydrocannabinol; delta(9)-Tetrahydrocannibinol; QCD-84924; Syndros; delta(sup 1)-Tetrahydrocannabinol; delta(sup 9)-Tetrahydrocannabinol; L-delta1-trans-Tetrahydrocannabinol; Cannabinol, delta1-tetrahydro-; CCRIS 4726; DEA No. 7369; CHEBI:66964; delta1-Tetrahydrocannabinol (VAN); delta9-Tetrahydrocannabinol (VAN); 3-Pentyl-6,6,9-trimethyl-6a,7,8,10a-tetrahydro-6H-dibenzo(b,d)pyran-1-ol; (6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol; CHEMBL465; Tetrahydrocannabinols (-)-delta1-3,4-trans-form; (l)-delta(sup 1)-Tetrahydrocannabinol; 1-trans-delta(sup 9)-Tetrahydrocannabinol; UNII-7J8897W37S; HSDB 6471; Cannabinol, 1-trans-delta(sup 9)-tetrahydro-; CYQFCXCEBYINGO-IAGOWNOFSA-N; (-)-delta(sup 1)-3,4-trans-Tetrahydrocannabinol; 6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol; 7J8897W37S; NSC 134454; NSC-134454; Tetrahydro-6,6,9-trimethyl-3-pentyl-6H-dibenzo(b,d)pyran-1-ol; 6,6,9-Trimethyl-3-pentyl-7,8,9,10-tetrahydro-6H-dibenzo(b,d)pyran-1-ol; (6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol; 6H-Dibenzo(b,d)pyran-1-ol, 6a,7,8,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-, (6aR-trans)-; trans-6a,7,8,10a-Tetrahydro-6,6,9-trimethyl-3-pentyl-6H-dibenzo(b,d)pyran-1-ol; .DELTA.9-Tetrahydrocannabinol; (-)-.DELTA.9-THC; delta(1)-THC; Compassia; Hashish; Relivar; Ganja; (L)-.delta.1-Tetrahydrocannabinol; Cannabis resin; Drona binol; (-)-.DELTA.1-Tetrahydrocannabinol; (-)-.DELTA.9-Tetrahydrocannabinol; Dronabinol [USAN:INN]; 9-ene-Tetrahydrocannabinol; L-.delta.1-trans-Tetrahydrocannabinol; L-trans-.delta.9-Tetrahydrocannabinol; delta-THC; (6aR,10aR)-6a,7,8,10a-Tetrahydro-6,6,9-trimethyl-3-pentyl-6H-dibenzo(b,d)pyran-1-ol; (6aR-trans)-6a,7,8,10a-Tetrahydro-6,6,9-trimethyl-3-pentyl-6H-dibenzo(b,d)pyran-1-ol; 6H-Dibenzo; 6H-Dibenzo(b,d)pyran-1-ol, 6a,7,8,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-, (6aR,10aR)-; 6H-dibenzo[b,d]pyran-1-ol, 6a,7,8,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-, (6aR,10aR)-; (-)-.DELTA.9-trans-Tetrahydrocannabinol; (-)-trans-.DELTA.9-Tetrahydrocannabinol; Marinol (TN); THC-delta-9; .DELTA.1-THC; .DELTA.9-THC; Dronabinol (USP/INN); trans-tetrahydrocannabinol; .DELTA.1-Tetrahydrocannabinol; Tetrahydrocannabinol delta9; (-)-trans-Delta9-THC; 9-delta-Tetrahydrocannabinol; Cannabinol, .DELTA.1-tetrahydro-; Tetrahydro-6,6,9-trimethyl-3-pentyl-6H-dibenzo[b,d]pyran-1-ol; .DELTA.9-trans-Tetrahydrocannabinol; (l)-delta1-Tetrahydrocannabinol; 1-trans-D9-Tetrahydrocannabinol; L-.delta.1-Tetrahydrocannabinol; (-)-delta1-Tetrahydrocannabinol; (-)-delta9-Tetrahydrocannabinol; delta9-trans-Tetrahydrocannabinol; trans-delta9-Tetrahydrocannabinol; (6aR,10aR)-6a,7,8,10a-Tetrahydro-6,6,9-trimethyl-3-pentyl-6H-dibenzo[b,d]pyran-1-ol; (6aR-trans)-6a,7,8,10a-Tetrahydro-6,6,9-trimethyl-3-pentyl-6H-dibenzo[b,d]pyran-1-ol; 3-pentyl-6,6,9-trimethyl-6a,7,8,10a-tetrahydro-6H-dibenzo[b,d]pyran-1-ol; CAT-310; 6H-Dibenzo(b,d)pyran-1-ol, 6a,7,8,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-, trans-; trans-delta-9-Tetrahydrocannabinol; L-trans-delta9-Tetrahydrocannabinol; 6H-Dibenzo[b,d]pyran-1-ol, 6a,7,8,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-, (6aR-trans)-; DRG-0138; 14C-.DELTA.1-Tetrahydrocannabinol; L-delta(sup 1)-tetrahydrocannabinol; trans-.DELTA.9-Tetrahydrocannabinol; (-)-trans-Delta1-Tetrahydrocannabinol; (-)-trans-delta9-Tetrahydrocannabinol; .delta.-9-THC; 1-trans-delta(sup9)-tetrahydrocannabinol; (-)-delta9-(trans)-Tetrahydrocannabinol; .delta.(sup9)-THC; 3ls4; (-)-3,4-trans-Delta1-Tetrahydrocannabinol; 1-trans-.delta.(sup9)-tetrahydrocannabinol; DSSTox_CID_1327; (-)-.delta.(sup9)-trans-Tetrahydrocannabinol; Epitope ID:224552; Marinol,Tetrahydrocannabinol; SCHEMBL4609; delta 9-Tetrahydrocannabinol; delta-9 Tetrahydrocannabinol; DSSTox_RID_76083; DSSTox_GSID_21327; BIDD:GT0427; Dronabinol [USAN:USP:INN]; ABBOTT-40566; GTPL2424; Cannabinol, tetrahydro- (6CI); DTXSID6021327; BDBM60994; CTK8D8346; J882F; US9416103, Delta9-THC; INT-0010; ZINC1530625; Tox21_112616; BDBM50007391; LS-975; NSC134454; PDSP2_000714; SP-104; API0002497; Cannabinol, Delta1-tetrahydro- (7CI); DB00470; INT-0010/06; (-)-Delta9-Tetrahydrocannabinol solution; 6465-30-1; CAS-1972-08-3; Synthetic THC in sesame oil / soft gelatin; C06972; Cannabinol, 1-trans-.delta.(sup9)-tetrahydro-; D00306; 23623-EP2269989A1; 23623-EP2275420A1; 23623-EP2298764A1; 23623-EP2298765A1; 23623-EP2298772A1; 23623-EP2308839A1; 23623-EP2314298A1; 23623-EP2314580A1; Dronabinol in sesame oil in soft gelatin capsule; 124699-EP2272825A2; 124699-EP2289509A2; 124699-EP2295426A1; 124699-EP2295427A1; 148820-EP2289509A2; Q190067; (-)-Delta9-THC (Dronabinol) 0.1 mg/ml in Methanol; (-)-Delta9-THC (Dronabinol) 1.0 mg/ml in Methanol; (-)-Delta9-THC (Dronabinol) 5.0 mg/ml in Methanol; Delta9-Tetrahydrocannabinol solution, ethanol solution; UNII-K4H93P747O component CYQFCXCEBYINGO-IAGOWNOFSA-N; 6H-Dibenzo[b, 6a,7,8,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-; Tetrahydro-6,6,9-trimethyl-3-pentyl-6H-di benzo[b,d]pyran-1-ol; (-)-Delta9-Tetrahydrocannabinol (Delta9-THC) 100 microg/mL in Methanol; (-)-Delta9-Tetrahydrocannabinol (Delta9-THC) 1000 microg/mL in Methanol; 6,9-Trimethyl-3-pentyl-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-1-ol; 6H-Dibenzo[b, 6a,7,8,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-, trans-; (-)-(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol; (-)-delta(sup 1)-3,4-trans-Tetrahydrocannabinol(l)-delta(sup 1)-Tetrahydrocannabinol; (10R,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol; (6aR,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-dibenzo[b,d]pyran-1-ol; (6AR,10AR)-6,6,9-TRIMETHYL-3-PENTYL-6H,6AH,7H,8H,10AH-BENZO[C]ISOCHROMEN-1-OL; (6aS,10aS)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol; (S)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol; 6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol(DeltaE-9-THC); 6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-dibenzo[b,d]pyran-1-ol; 6H-Dibenzo(b,d)pyran-1-ol, 6a,7,8,10a-tetrahydro-3-pentyl-6,6,9-trimethyl- (6ar-trans)-; 6H-Dibenzo[b, 6a,7,8,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-, (6aR-trans)-; 6H-Dibenzo[b,d]pyran-1-ol,6a,7,8,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-, (6aR-trans)-; Delta-9-Tetrahydrocannabinol, United States Pharmacopeia (USP) Reference Standard; (-)-Delta9-Tetrahydrocannabinol solution, ~1 mg/mL in ethanol, analytical standard, for drug analysis; (-)-trans-Delta9-THC solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material; 6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol(delta9-THC(delta9-tetrahydrocannabinol)); 6H-Dibe nzo[b,d]pyran-1-ol,6a,7,8,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-, (6aR-trans)-; 8,8-Dimethyl-11-methylene-5-pentyl-3,4,8a,9,10,11,12,12a-octahydro-2H,8H-1,7-dioxa-benzo[c]phenanthrene; Delta9-Tetrahydrocannabinol solution, 1.0 mg/mL in methanol, analytical standard, for drug analysis; Dronabinol in sesame oil and encapsulated in a soft gelatin capsule in a U.S. FDA approved drug product;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C21H30O2",
"molecular_weight": "314.5",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "16078",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01622",
"RC02243",
"RC02864"
]
},
{
"compound_ID": "D0622",
"name": "2-(4-hydroxybenzyl)phenol",
"synonyms": "2,4'-Dihydroxydiphenylmethane; 2467-03-0; 2-(4-hydroxybenzyl)phenol; 2,4'-Methylenediphenol; 2,4'-Bisphenol F; Phenol, 2-[(4-hydroxyphenyl)methyl]-; o-(p-Hydroxybenzyl)phenol; 2,4'-Methylenebis(phenol); 2-[(4-hydroxyphenyl)methyl]phenol; Phenol, 2,4'-methylenedi-; UNII-LIX5YMK20B; (2-Hydroxyphenyl)(4-hydroxyphenyl)methane; CCRIS 8451; EINECS 219-579-8; NSC 36395; LIX5YMK20B; Phenol, 2-((4-hydroxyphenyl)methyl)-; LVLNPXCISNPHLE-UHFFFAOYSA-N; o-((4-Hydroxyphenyl)methyl)phenol; O-[(4-Hydroxyphenyl)methyl]phenol; DSSTox_CID_24890; DSSTox_RID_80562; DSSTox_GSID_44890; W-109789; CAS-2467-03-0; Oxybenzylphenol; 2,4'-methylenebisphenol; SCHEMBL68653; CHEMBL3187039; DTXSID2044890; CTK7J9285; LVLNPXCISNPHLE-UHFFFAOYSA-; ZINC162390; 4-[(2-hydroxyphenyl)methyl]phenol; NSC36395; ZX-AT026554; Tox21_201953; Tox21_303514; NSC-36395; Phenol, 2,4'-methylenedi- (8CI); KS-000012Z9; NCGC00249140-01; NCGC00257335-01; NCGC00259502-01; AS-62687; 2,4'-dihydroxydiphenylmethane, AldrichCPR; LS-188269; TR-011363; D1940; FT-0691237; C-44733; Q27283009; UNII-DKN2T8SYHU component LVLNPXCISNPHLE-UHFFFAOYSA-N; InChI=1/C13H12O2/c14-12-7-5-10(6-8-12)9-11-3-1-2-4-13(11)15/h1-8,14-15H,9H2;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C13H12O2",
"molecular_weight": "200.23",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "75576",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01623",
"RC02244",
"RC02865"
]
},
{
"compound_ID": "D0623",
"name": "2-(butan-2-yl)phenol",
"synonyms": "2-sec-Butylphenol; o-sec-Butylphenol; 89-72-5; 2-(butan-2-yl)phenol; 2-(1-METHYLPROPYL)PHENOL; 2-(2-Butyl)phenol; Phenol, 2-(1-methylpropyl)-; Phenol, o-sec-butyl-; 2-sec.Butylfenol; Isopropyl o-cresol; ortho-sec-butylphenol; 2-sec.Butylfenol [Czech]; CCRIS 6218; HSDB 5266; Phenol, 2-methyl(1-methylethyl)-; (R)-2-sec-butylphenol; EINECS 201-933-8; BRN 1210026; CHEMBL30193; CHEBI:34303; NGFPWHGISWUQOI-UHFFFAOYSA-N; MFCD00002225; 2-(methylpropyl)phenol; DSSTox_CID_2331; DSSTox_RID_76551; DSSTox_GSID_22331; 53466-96-9; CAS-89-72-5; sec-butylphenol; 2-s-butylphenol; o-sec.-butylphenol; 2-Sec. butylphenol; 2-(sec-Butyl)phenol; ACMC-209r2m; 2-sec-Butylphenol, 98%; EC 201-933-8; 3-06-00-01852 (Beilstein Handbook Reference); MLS001055345; SCHEMBL282162; SCHEMBL8988151; SGCUT00117; DTXSID2022331; CTK3J2919; HMS3039C13; KS-00000V8H; to_000028; Tox21_201372; Tox21_300047; ANW-39356; BDBM50410500; SBB061123; AKOS000120753; LS-1899; MCULE-1162869855; RTR-028159; NCGC00090979-01; NCGC00090979-02; NCGC00090979-03; NCGC00090979-04; NCGC00090979-05; NCGC00254042-01; NCGC00258923-01; S653; SMR000673564; TR-028159; B0732; FT-0613410; ST50824243; C14138; W-100361; Q20156241; Q27115978; F0001-2199;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C10H14O",
"molecular_weight": "150.22",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "6984",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01624",
"RC02245",
"RC02866"
]
},
{
"compound_ID": "D0624",
"name": "2-(thiocyanomethylthio)benzothiazole",
"synonyms": "21564-17-0; 2-(Thiocyanatomethylthio)benzothiazole; TCMTB; Superdavloxan; Benthiazole; 2-(Thiocyanomethylthio)benzothiazole; 2-((Thiocyanatomethyl)thio)benzo[d]thiazole; Alentisan; Ichiban; Sancelant TMB; Delsan 30; Busan; Busan 15; Busan 71; Busan 1030; Busan 30; Busan 30A; Busan 30I; Busan 70; Busan 72; Busan 72A; Tolcide 2230; Busan 30-1; Protector 3L; Benthiazole 30%; KVK 733059; Busan 44; Caswell No. 853A; THIOCYANIC ACID, (2-BENZOTHIAZOLYLTHIO)METHYL ESTER; 1,3-benzothiazol-2-ylsulfanylmethyl thiocyanate; UNII-5GE166YVQV; (2-Benzothiazolylthio)methyl thiocyanate; 5GE166YVQV; TCMTB 30%; TCMTB 60%; TCMTB 80%; (Benzothiazol-2-ylthio)methyl thiocyanate; 2-(Thiocyanatomethylthio)benzo[d]thiazole; HSDB 6450; EINECS 244-445-0; AI3-29396-X (USDA); 2-Benzothiazolylthio methyl thiocyanate; EPA Pesticide Chemical Code 035603; 2-(Benzothiazolylthio)methyl thiocyanate; 2-Thiocyanomethylthiobenzothiazole, 80%; BRN 1213014; 2-((Thiocyanatomethyl)thio)benzothiazole; 2-Tiocianometiltiobenzotiazolo [Italian]; 2-(Thiocyanomethylthio)benzothiazole, 60%; 2-Tiocianometiltiobenzotiazolo, 80% [Italian]; Thiocyanic acid, (2-benzothiazolylthio) methyl ester; Thiocyanic acid, (2-benzothiazolylthio)methyl ester, 30%; Thiocyanic acid, 2-(benzothiazolylthio)methyl ester, 60%; Thiocyanic acid, 2-(benzothiazolylthio)methyl ester, 80%; 2-[(Thiocyanatomethyl)thio]benzothiazole; TCMTB (2-(Thiocyanomethylthio)benzothiazole); Acticide WB 300; TCMTB (Busan); PubChem23353; DSSTox_CID_12647; DSSTox_RID_79023; DSSTox_GSID_32647; SCHEMBL54175; 2-Tiocianometiltiobenzotiazolo; C9H6N2S3; CHEMBL1903976; DTXSID6032647; CTK1A2536; TUBQDCKAWGHZPF-UHFFFAOYSA-N; BCP25511; KS-00000ZR0; ZINC2016149; Tox21_301072; 2-Tiocianometiltiobenzotiazolo, 80%; 2-(4-Thiocyanomethythio)Benzothiazole; AKOS015915374; TCMTB 100 microg/mL in Acetonitrile; AM84757; FCH1329754; ACM21564170; NCGC00168337-01; NCGC00168337-02; NCGC00254973-01; P282; SC-47242; AX8019384; CAS-21564-17-0; DB-030386; LS-152632; Benzothiazole, 2-((thiocyanatomethyl)thio)-; FT-0638130; ST24039028; (1,3-benzothiazol-2-ylthio)methyl thiocyanate; 564T170; A815476; C-36790; Q158532; Benzothiazole, 2-((thiocyanatomethyl)thio)- (8CI); J-014149; (1,3-Benzothiazol-2-ylsulfanyl)methyl thiocyanate #; thiocyanic acid (1,3-benzothiazol-2-ylthio)methyl ester; 2-(Thiocyanatomethylthio)benzothiazole, PESTANAL(R), analytical standard; (1,3-Benzothiazol-2-ylsulfanyl)methyl thiocyanate (2-benzothiazolylthio)methylthiocyanate[qr];",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C9H6N2S3",
"molecular_weight": "238.4",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "30692",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01625",
"RC02246",
"RC02867"
]
}
]
}
