842103-12-2 (1H-吡咯-1-庚酸,2-(4-氟苯基)-β,δ-二羟基-5-(1-甲基乙基)-3-苯基-4-[(苯氨基)羰基]-,1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-)

CAS号:
842103-12-2
中文名称:
1H-吡咯-1-庚酸,2-(4-氟苯基)-β,δ-二羟基-5-(1-甲基乙基)-3-苯基-4-[(苯氨基)羰基]-
英文名称:
1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-
分子式:
C33H35FN2O5
分子量:
558.639812707901

1H-吡咯-1-庚酸,2-(4-氟苯基)-β,δ-二羟基-5-(1-甲基乙基)-3-苯基-4-[(苯氨基)羰基]-(842103-12-2)名称与标识符

名称

英文别名:
1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-;Atorvastatin EP Impurity BQ: What is Atorvastatin EP Impurity B Q: What is the CAS Number of Atorvastatin EP Impurity B;(3RS,5SR)-7-[2-(4-Fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic Acid;

标识符

InChIKey:
XUKUURHRXDUEBC-UHFFFAOYSA-N
Inchi:
1S/C33H35FN2O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)
SMILES:
C(C1=C(N(CCC(O)CC(O)CC(=O)O)C(C2C=CC(F)=CC=2)=C1C1C=CC=CC=1)C(C)C)(=O)NC1C=CC=CC=1

1H-吡咯-1-庚酸,2-(4-氟苯基)-β,δ-二羟基-5-(1-甲基乙基)-3-苯基-4-[(苯氨基)羰基]-(842103-12-2)物化性质

实验特性

  • 沸点 : 722.2±60.0 °C(Predicted)
  • 酸度系数(pKa) : 4.29±0.10(Predicted)
  • 密度 : 1.23±0.1 g/cm3(Predicted)

1H-吡咯-1-庚酸,2-(4-氟苯基)-β,δ-二羟基-5-(1-甲基乙基)-3-苯基-4-[(苯氨基)羰基]-(842103-12-2)相关文献