Ivacaftor carboxylate

HCID 46917263

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基本情報

CAS: 1246213-24-0
標準SMILES: CC(C)(C)c1cc(C(C)(C)C(=O)O)c(O)cc1NC(=O)c1c[nH]c2ccccc2c1=O
InChIKey: JYPYTFLCNPMVBC-UHFFFAOYSA-N
分子式: C24H26N2O5
平均分子量: 422.5 g/mol
単同位体質量: 422.18417193

名称と識別子

優先名称: Ivacaftor carboxylate
IUPAC: 2-[5-tert-butyl-2-hydroxy-4-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl]-2-methylpropanoic acid
英語名: Benzeneacetic acid, 4-[[(1,4-dihydro-4-oxo-3-quinolinyl)carbonyl]aMino]-5-(1,1-diMethylethyl)-2-hydroxy-α,α-diMethyl-
分子式: C24H26N2O5
分子量: 422.48

名称と別名

1246213-24-0Ivacaftor carboxylateIvacaftor (m6)VRT-84291738WUF8D79HBenzeneacetic acid, 4-(((1,4-dihydro-4-oxo-3-quinolinyl)carbonyl)amino)-5-(1,1-dimethylethyl)-2-hydroxy-alpha,alpha-dimethyl-RefChem:1087878Ivacaftor Carboxylic Acid2-(5-(tert-Butyl)-2-hydroxy-4-(4-oxo-1,4-dihydroquinoline-3-carboxamido)phenyl)-2-methylpropanoic acidIvacaftor Impurity 12-(5-tert-butyl-2-hydroxy-4-(4-oxo-1,4-dihydroquinoline-3-carboxamido)phenyl)-2-methylpropanoic acidUNII-38WUF8D79H

名称をさらに表示

Ivacaftor impurities5Ivacaftor Carboxylic Acid ImpurityBenzeneacetic acid, 4-[[(1,4-dihydro-4-oxo-3-quinolinyl)carbonyl]aMino]-5-(1,1-diMethylethyl)-2-hydroxy-α,α-diMethyl-Benzeneacetic acid, 4-[[(1,4-dihydro-4-oxo-3-quinolinyl)carbonyl]aMino]-5-(1,1-diMethylethyl)-2-hydroxy-alpha,alpha-diMethyl-

2-[5-tert-Butyl-2-hydroxy-4-(4-oxo-1,4-dihydroquinoline-3-carboxamido)phenyl]-2-methylpropanoic acid2-[5-tert-butyl-2-hydroxy-4-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl]-2-methylpropanoic acidSCHEMBL380947IVACAFTOR METABOLITE M6DTXSID10677348JYPYTFLCNPMVBC-UHFFFAOYSA-NWZB21324SB73218