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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 moreSMILES: 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 moreSynonyms: Acetyl-Leu-Leu-Arg-al TFA
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PE 154Cas Number: 1192750-33-6 Compound CID: 135870290Formula: C35H35N5O4 Molecular Weight: 589.68IUPAC Name: 2-[4-[[7-(diethylamino)-4-hydroxy-2-oxochromen-3-yl]methylideneamino]phenyl]-N'-(1,2,3,4-tetrahydroacridin-9-yl)acetohydrazideSMILES: CCN(CC)C1=CC2=C(C=C1)C(=C(C(=O)O2)C=NC3=CC=C(C=C3)CC(=O)NNC4=C5CCCCC5=NC6=CC=CC=C64)OInChIKey: RSKDYQUBLFFWPM-UHFFFAOYSA-NInChI: show moreSynonyms: (1Z,N'E)-2-(4-(((E)-(7-(diethylamino)-2,4-dioxochroman-3-ylidene)methyl)amino)phenyl)-N'-(1,2,3,4-tetrahydroacridin-9...
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LY 78335Cas Number: 39959-66-5Formula: C8H9Cl2N.HCl Molecular Weight: 226.53IUPAC Name: 1-(2,3-dichlorophenyl)ethanamine;hydrochlorideSMILES: CC(C1=C(C(=CC=C1)Cl)Cl)N.ClInChIKey: FQTXPVLCCDQRHY-UHFFFAOYSA-NInChI: InChI=1S/C8H9Cl2N.ClH/c1-5(11)6-3-2-4-7(9)8(6)10;/h2-5H,11H2,1H3;1HSynonyms: (y)-2,3-Dichloro-alpha-methylbenzylamine hydrochloride | DTXSID80474684 | 1-(2,3-dichlorophenyl)ethanamine;hydrochlor...
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N1-Losartanyl-losartan (Losartan Impurity)Cas Number: 230971-71-8 Compound CID: 71587661Formula: C44H44Cl2N12O Molecular Weight: 827.81IUPAC Name: show moreSMILES: 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 moreSynonyms: 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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MeOSuc-AAPV-AMCCas Number: 72252-90-5Formula: C31H41N5O9 Molecular Weight: 627.69IUPAC Name: show moreSMILES: CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C(C(C)C)NC(=O)C3CCCN3C(=O)C(C)NC(=O)C(C)NC(=O)CCC(=O)OCInChIKey: CMEUDEVBFFPSEI-NFHWZJRKSA-NInChI: show moreSynonyms: MeOSuc-Ala-Ala-Pro-Val-AMC
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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 moreSynonyms: 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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PhenserineCas Number: 101246-66-6 Compound CID: 192706Formula: C20H23N3O2 Molecular Weight: 337.42IUPAC Name: [(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-phenylcarbamateSMILES: CC12CCN(C1N(C3=C2C=C(C=C3)OC(=O)NC4=CC=CC=C4)C)CInChIKey: PBHFNBQPZCRWQP-QUCCMNQESA-NInChI: InChI=1S/C20H23N3O2/c1-20-11-12-22(2)18(20)23(3)17-10-9-15(13-16(17)20)25-19(24)21-14-7-5-4-6-8-14/h4-10,13,18H,11-12H2,1-3H3,(H,21,24)/t18-,20+/m1/s1Synonyms: DB04892 | HY-103374 | Q-100312 | HMS3261J07 | NCGC00261208-01 | Romantrene Brown FBR | BRD-K46580984-001-01-0 | (+/-)...
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N-NitrosoguvacolineCas Number: 55557-02-3Formula: C7H10N2O3 Molecular Weight: 170.17IUPAC Name: methyl 1-nitroso-3,6-dihydro-2H-pyridine-5-carboxylateSMILES: COC(=O)C1=CCCN(C1)N=OInChIKey: NXEUEKXJAAVKCT-UHFFFAOYSA-NInChI: InChI=1S/C7H10N2O3/c1-12-7(10)6-3-2-4-9(5-6)8-11/h3H,2,4-5H2,1H3Synonyms: 1-Nitroso-1,2,5,6-tetrahydronicotinic acid methyl ester | BRN 0391077 | DTXSID6021038 | Nicotinic acid, 1,2,5,6-tetra...
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rac 2-Hydroxy IbuprofenCas Number: 51146-55-5 Compound CID: 10443535Formula: C13H18O3 Molecular Weight: 222.28IUPAC Name: 2-[4-(2-hydroxy-2-methylpropyl)phenyl]propanoic acidSMILES: CC(C1=CC=C(C=C1)CC(C)(C)O)C(=O)OInChIKey: UJHKVYPPCJBOSG-UHFFFAOYSA-NInChI: InChI=1S/C13H18O3/c1-9(12(14)15)11-6-4-10(5-7-11)8-13(2,3)16/h4-7,9,16H,8H2,1-3H3,(H,14,15)Synonyms: 2-[4-(3-Hydroxy-2-methylpropyl)phenyl]propionic acid | Ibuprofen-2-hydroxy 100 microg/mL in Acetonitrile | 2,4'-(2-Hy...
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Sodium monofluorophosphateFormula: FNa2O3P Molecular Weight: 143.949IUPAC Name: disodium;fluoro-dioxido-oxo-λ5-phosphaneSMILES: [O-]P(=O)([O-])F.[Na+].[Na+]InChIKey: BFDWBSRJQZPEEB-UHFFFAOYSA-LInChI: InChI=1S/FH2O3P.2Na/c1-5(2,3)4;;/h(H2,2,3,4);;/q;2*+1/p-2Synonyms: BlanX White Shock | Go Smile | NBF Gingival | Colgate Anticavity Kit | Plus White | smilecare | SODIUM MONOFLUOROPHOS...
