Chem
J-GLOBAL ID：200907077545012440
Nikkaji number：J2.612.351H
(3aS)-1,5-Bis(2,2,2-trichloroethoxycarbonyl)-4α-(3-hydroxypropyl)-2,3,3aα,4,5,9bα-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxylic acid methyl ester
(3aS)-1,5-ビス(2,2,2-トリクロロエトキシカルボニル)-4α-(3-ヒドロキシプロピル)-2,3,3aα,4,5,9bα-ヘキサヒドロ-1H-ピロロ[3,2-c]キノリン-8-カルボン酸メチル
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C22H24Cl6N2O7
Molecular formula furigana： C22-H24-CL6-N2-O7
Molecular weight： 641.140
InChI：
InChI=1S/C22H24Cl6N2O7/c1-35-18(32)12-4-5-16-14(9-12)17-13(6-7-29(17)19(33)36-10-21(23,24)25)15(3-2-8-31)30(16)20(34)37-11-22(26,27)28/h4-5,9,13,15,17,31H,2-3,6-8,10-11H2,1H3/t13-,15-,17-/m0/s1
InChI key：
YQPUFPYDGFOGGO-QRTARXTBSA-N
SMILES：
COC(=O)c1ccc2N([C@@H](CCCO)[C@@H]3CCN([C@@H]3c2c1)C(=O)OCC(Cl)(Cl)Cl)C(=O)OCC(Cl)(Cl)Cl
Systematic name (3)：
- (3aS)-1,5-ビス(2,2,2-トリクロロエトキシカルボニル)-4α-(3-ヒドロキシプロピル)-2,3,3aα,4,5,9bα-ヘキサヒドロ-1H-ピロロ[3,2-c]キノリン-8-カルボン酸メチル
- 8-メチル 1,5-ビス(2,2,2-トリクロロエチル) (3aS,4S,9bS)-4-(3-ヒドロキシプロピル)-1H,2H,3H,3aH,4H,5H,9bH-ピロロ[3,2-c]キノリン-1,5,8-トリカルボキシラート
- 8-methyl 1,5-bis(2,2,2-trichloroethyl) (3aS,4S,9bS)-4-(3-hydroxypropyl)-1H,2H,3H,3aH,4H,5H,9bH-pyrrolo[3,2-c]quinoline-1,5,8-tricarboxylate
- (3aS)-1,5-Bis(2,2,2-trichloroethoxycarbonyl)-4α-(3-hydroxypropyl)-2,3,3aα,4,5,9bα-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxylic acid methyl ester
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