Chem
J-GLOBAL ID:200907045763981200
Nikkaji number:J930.890C
CP-294838
1-ネオペンチル-2-オキソ-5α-(2-クロロフェニル)-7-クロロ-1,2,3,5-テトラヒドロ-4,1-ベンゾオキサゼピン-3β-酢酸
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Substance type:
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
Molecular formula:
C22 H23 Cl2 NO4
Molecular formula furigana:
C22-H23-CL2-N-O4
Molecular weight:
436.330
InChI:
InChI=1S/C22H23Cl2NO4/c1-22(2,3)12-25-17-9-8-13(23)10-15(17)20(14-6-4-5-7-16(14)24)29-18(21(25)28)11-19(26)27/h4-10,18,20H,11-12H2,1-3H3,(H,26,27)/t18-,20-/m1/s1
InChI key:
BHDQOMHFEOHAQK-UYAOXDASSA-N
SMILES:
CC(C)(C)CN1c2ccc(Cl)cc2[C@H](O[C@H](CC(=O)O)C1=O)c1ccccc1Cl
Systematic name (5):
(3R)-1-(2,2-ジメチルプロピル)-5α-(2-クロロフェニル)-7-クロロ-2-オキソ-1,2,3,5-テトラヒドロ-4,1-ベンゾオキサゼピン-3β-酢酸
1-ネオペンチル-2-オキソ-5α-(2-クロロフェニル)-7-クロロ-1,2,3,5-テトラヒドロ-4,1-ベンゾオキサゼピン-3β-酢酸
(3R)-1-ネオペンチル-2-オキソ-5α-(2-クロロフェニル)-7-クロロ-1,2,3,5-テトラヒドロ-4,1-ベンゾオキサゼピン-3β-酢酸
2-[(3R,5S)-7-クロロ-5-(2-クロロフェニル)-1-(2,2-ジメチルプロピル)-2-オキソ-1,2,3,5-テトラヒドロ-4,1-ベンゾオキサゼピン-3-イル]酢酸
2-[(3R,5S)-7-chloro-5-(2-chlorophenyl)-1-(2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetic acid
Other name (4):
CP-294838
(3R)-1-(2,2-Dimethylpropyl)-5α-(2-chlorophenyl)-7-chloro-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepine-3β-acetic acid
1-Neopentyl-2-oxo-5α-(2-chlorophenyl)-7-chloro-1,2,3,5-tetrahydro-4,1-benzoxazepine-3β-acetic acid
(3R)-1-Neopentyl-2-oxo-5α-(2-chlorophenyl)-7-chloro-1,2,3,5-tetrahydro-4,1-benzoxazepine-3β-acetic acid
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