Tadalafil Impurity 11

HCID 44250481
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基本情報

CAS
1190238-20-0
標準SMILES
COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc3c(c2)OCO3)N1.Cl
InChIKey
ROYJOKDTCKPQHK-NKGQWRHHSA-N
分子式
C20H19ClN2O4
平均分子量
386.8 g/mol
単同位体質量
386.1033348

名称と識別子

優先名称
Tadalafil Impurity 11
IUPAC
methyl (1S,3S)-1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate;hydrochloride
英語名
Tadalafil-015-1S3S-HCl
分子式
C20H19ClN2O4
分子量
386.83

名称と別名

1190238-20-0Tadalafil Impurity 11Methyl (1S,3S)-1-(benzo[d][1,3]dioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate hydrochlorideTadalafil Impurity 11 HClQN4KWH46E2SCHEMBL1894627ROYJOKDTCKPQHK-NKGQWRHHSA-NIntermediates of Tadalafil:(1R,3R)-9H-pyrido[3,4-b]indole-3-carboxylic acid, 1,2,3,4-tetrahydro-1-(3,4-methylenedioxyph enyl), methyl ester, cis isomer, hydrochloride(1S,3S)-methyl 1-(benzo[d][1,3]dioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate hydrochloride1H-Pyrido[3,4-b]indole-3-carboxylic acid, 1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-, methyl ester, hydrochloride (1:1), (1S,3S)-Cis 1 -Benzo[1,3]dioxol-5 -yl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid methyl ester hydrochloridecis 1-benzo [1,3 ]dioxol-5 -yl-2,3,4,9-tetrahydro-1H-beta-carboline-3 -carboxylic acid methyl ester hydrochloride
名称をさらに表示
Tadalafil-015-1S3S-HClTadalafil Impurity 18 HClTadalafundum 22 (hydrochloride)Tadalafil Impurity 3 HydrochlorideTadalafil impurity 16/(1S,3S)-1-(1,3-Benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic Acid Methyl Ester hydrochloride
cis 1-benzo[1,3]dioxol-5-yl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid methyl ester hydrochloridemethyl (1S,3S)-1,2,3,4-tetrahydro-1-(3,4-methylenedioxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxylate hydrochlorideMethyl (1S,3S)-1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate hydrochloride

データベース識別子

CAS
1190238-20-0
PubChem CID
44250481
UNII
QN4KWH46E2

物性

構造計算による物性

極性表面積
72.6 Ų
水素結合供与体数
3
水素結合受容体数
5
回転可能結合数
3
重原子数
27

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