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Metabolism
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Leupeptin trifluoroacetate saltCas Number: 147385-61-3 Compound CID: 44120072Formula: C20H38N6O4·xC2HF3O2 Molecular Weight: 426.55 (free base basis)IUPAC Name: show more
SMILES: CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C=O)NC(=O)C.C(=O)(C(F)(F)F)OInChIKey: WUHGBZVQELGOMH-FRKSIBALSA-NInChI: show more Synonyms: Acetyl-Leu-Leu-Arg-al TFA -
N1-Losartanyl-losartan (Losartan Impurity)Cas Number: 230971-71-8 Compound CID: 71587661Formula: C44H44Cl2N12O Molecular Weight: 827.81IUPAC Name: show more
SMILES: CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CN5C(=NN=N5)C6=CC=CC=C6C7=CC=C(C=C7)CN8C(=NC(=C8CO)Cl)CCCC)ClInChIKey: JDOZHSDYJLYMLM-UHFFFAOYSA-NInChI: show more Synonyms: N1-Losartanyl-losartan | N1-Losartanyl-losartan (Losartan Impurity) | [2-Butyl-1-[[2'-[1-[[2-butyl-4-chloro-1-[[2'-(1...
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NAICas Number: 1055970-47-2Formula: C10H9N3O Molecular Weight: 187.20IUPAC Name: imidazol-1-yl-(2-methylpyridin-3-yl)methanoneSMILES: CC1=C(C=CC=N1)C(=O)N2C=CN=C2InChIKey: OWQPEDNXDCVXJO-UHFFFAOYSA-NInChI: InChI=1S/C10H9N3O/c1-8-9(3-2-4-12-8)10(14)13-6-5-11-7-13/h2-7H,1H3Synonyms: 3-(1H-imidazole-1-carbonyl)-2-methylpyridine | 5S rRNA modificator 2 | Imidazol-1-yl-(2-methyl-3-pyridyl)methanone | ...
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16-Dehydropregnenolone acetateCas Number: 979-02-2Formula: C23H32O3 Molecular Weight: 356.5IUPAC Name: [(3S,8R,9S,10R,13S,14S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetateSMILES: CC(=O)C1=CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)CInChIKey: MZWRIOUCMXPLKV-RFOVXIPZSA-NInChI: show more Synonyms: 16-DPA | Pregna-5, 3.beta.-hydroxy-, acetate | KS-1008 | 3beta-Acetoxy-5,16-pregnadien-20-one | 16,17-Didehydropregne...
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Mebeverine AcidCas Number: 475203-77-1 Compound CID: 20556914Formula: C16H25NO3 Molecular Weight: 279.37IUPAC Name: 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoic acidSMILES: CCN(CCCC(=O)O)C(C)CC1=CC=C(C=C1)OCInChIKey: UZUWRVLVHOYTNN-UHFFFAOYSA-NInChI: InChI=1S/C16H25NO3/c1-4-17(11-5-6-16(18)19)13(2)12-14-7-9-15(20-3)10-8-14/h7-10,13H,4-6,11-12H2,1-3H3,(H,18,19)Synonyms: F85154 | DTXSID70608658 | 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoic acid | MS-23966 | AKOS025437284 | M...
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Parathion-methyl solutionCas Number: 298-00-0(methanol)Formula: C8H10NO5PS Molecular Weight: 263.21Synonyms: Methyl parathion; O,O-Dimethyl O-(4-nitrophenyl) phosphorothioate;
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S-EthylglutathioneCas Number: 24425-52-3 Compound CID: 107650Formula: C12H21N3O6S Molecular Weight: 335.38IUPAC Name: (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-ethylsulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acidSMILES: CCSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)NInChIKey: HMFDVPSBWOHOAP-YUMQZZPRSA-NInChI: InChI=1S/C12H21N3O6S/c1-2-22-6-8(11(19)14-5-10(17)18)15-9(16)4-3-7(13)12(20)21/h7-8H,2-6,13H2,1H3,(H,14,19)(H,15,16)(H,17,18)(H,20,21)/t7-,8-/m0/s1Synonyms: L-gamma-Glutamyl-S-ethyl-L-cysteinylglycine | L-gamma-Glutamyl-S-ethyl-L-cysteinyl-glycine | DTXSID40179183 | N5-((R)...
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5-Bromo-3-indoxyl nonanoateCas Number: 133950-70-6Formula: C17H22BrNO2 Molecular Weight: 352.272IUPAC Name: (5-bromo-1H-indol-3-yl) nonanoateSMILES: CCCCCCCCC(=O)OC1=CNC2=C1C=C(C=C2)BrInChIKey: KWRFASVVDCCIEJ-UHFFFAOYSA-NInChI: InChI=1S/C17H22BrNO2/c1-2-3-4-5-6-7-8-17(20)21-16-12-19-15-10-9-13(18)11-14(15)16/h9-12,19H,2-8H2,1H3Synonyms: SCHEMBL5071939 | Nonanoic acid,5-bromo-1H-indol-3-yl ester | 5-Bromo-3-indolyl nonanoate | AKOS015914538 | DTXSID8043...
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D,L-Buthionine-(S,R)-sulfoximineCas Number: 5072-26-4Formula: C8H18N2O3S Molecular Weight: 222.31IUPAC Name: 2-amino-4-(butylsulfonimidoyl)butanoic acidSMILES: CCCCS(=N)(=O)CCC(C(=O)O)NInChIKey: KJQFBVYMGADDTQ-UHFFFAOYSA-NInChI: InChI=1S/C8H18N2O3S/c1-2-3-5-14(10,13)6-4-7(9)8(11)12/h7,10H,2-6,9H2,1H3,(H,11,12)Synonyms: NCGC00093696-01 | DTXSID6044434 | LW4108Q0BV | B 2640 | BCP27775 | 2-Amino-4-(butylsulfonimidoyl)butanoicacid | NCGC0...
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Prostaglandin A₁ ethyl esterCas Number: 93464-24-5 Compound CID: 12149511Formula: C22H36O4 Molecular Weight: 364.52IUPAC Name: ethyl 7-[(1R,2S)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopent-3-en-1-yl]heptanoateSMILES: CCCCCC(C=CC1C=CC(=O)C1CCCCCCC(=O)OCC)OInChIKey: STQVEMJKKQYNQQ-LTGPBHORSA-NInChI: InChI=1S/C22H36O4/c1-3-5-8-11-19(23)16-14-18-15-17-21(24)20(18)12-9-6-7-10-13-22(25)26-4-2/h14-20,23H,3-13H2,1-2H3/b16-14+/t18-,19-,20+/m0/s1Synonyms: 15S-hydroxy-9-oxo-prosta-10,13E-dien-1-oic acid, ethyl ester
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Hydroxybupropion-d8Cas Number: 1309283-18-8Formula: C13H10D8ClNO2 Molecular Weight: 263.79IUPAC Name: 1-(3-chlorophenyl)-2-[[1,1,1,3,3,3-hexadeuterio-2-[dideuterio(hydroxy)methyl]propan-2-yl]amino]propan-1-oneSMILES: CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)COInChIKey: AKOAEVOSDHIVFX-IBKKAOJUSA-NInChI: InChI=1S/C13H18ClNO2/c1-9(15-13(2,3)8-16)12(17)10-5-4-6-11(14)7-10/h4-7,9,15-16H,8H2,1-3H3/i2D3,3D3,8D2Synonyms: 1-(3-chlorophenyl)-2-[[1,1,1,3,3,3-hexadeuterio-2-[dideuterio(hydroxy)methyl]propan-2-yl]amino]propan-1-one
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Mono(3-carboxypropyl) PhthalateCas Number: 66851-46-5Formula: C12H12O6 Molecular Weight: 252.22IUPAC Name: 2-(3-carboxypropoxycarbonyl)benzoic acidSMILES: C1=CC=C(C(=C1)C(=O)O)C(=O)OCCCC(=O)OInChIKey: IYTPMLIWBZMBSL-UHFFFAOYSA-NInChI: InChI=1S/C12H12O6/c13-10(14)6-3-7-18-12(17)9-5-2-1-4-8(9)11(15)16/h1-2,4-5H,3,6-7H2,(H,13,14)(H,15,16)Synonyms: MCPP | 1,2-Benzenedicarboxylic Acid Mono(3-carboxypropyl) Ester | Phthalic acid 3-carboxypropyl ester | 1,2-Benzenedi...
