4-[1b-(4-fluoro-phenyl)-6-hydroxy-6-isopropyl-1a-phenyl-6a-phenylcarbamoyl-hexahydro-1,2-dioxa-5a-aza-cyclopropa[a]inden-3-yl]-3-(R)-hydroxy-butyric acid

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 4-[1b-(4-fluoro-phenyl)-6-hydroxy-6-isopropyl-1a-phenyl-6a-phenylcarbamoyl-hexahydro-1,2-dioxa-5a-aza-cyclopropa[a]inden-3-yl]-3-(R)-hydroxy-butyric acid
• 英文别名: (3R)-4-[1-(4-fluorophenyl)-5-hydroxy-2-phenyl-4-(phenylcarbamoyl)-5-propan-2-yl-3,10-dioxa-6-azatricyclo[4.4.0.02,4]decan-9-yl]-3-hydroxybutanoic acid
• 化学式: C₃₃H₃₅FN₂O₇
• 分子量: 590.649
• InChiKey: MVZMCOIMLLJPJD-VDBXWSHWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  43
• 可旋转键数：
  9
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  132
• 氢给体数：
  4
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  阿托伐他汀 在 sodium hydroxide 、 双氧水 作用下， 以 水 、 乙腈 为溶剂， 反应 5.0h， 生成 4-[1b-(4-fluoro-phenyl)-6-hydroxy-6-isopropyl-1a-phenyl-6a-phenylcarbamoyl-hexahydro-1,2-dioxa-5a-aza-cyclopropa[a]inden-3-yl]-3-(R)-hydroxy-butyric acid
  参考文献：
  名称：

  [EN] OXIDATIVE DEGRADATION PRODUCTS OF ATORVASTATIN CALCIUM
  [FR] PRODUITS DE DEGRADATION OXYDANTE DU CALCIUM D'ATORVASTATINE

  摘要：

  公开号：

  WO2006008091A3

文献信息

• OXIDATIVE DEGRADATION PRODUCTS OF ATORVASTATIN CALCIUM
  申请人：LEK Pharmaceuticals d.d.

  公开号：EP1771455B1

  公开（公告）日：2016-05-11
• Oxidative Degradation Products of Atorvastatin Calcium
  申请人：Grahek Rok

  公开号：US20070208071A1

  公开（公告）日：2007-09-06

  The present invention relates to oxidative degradation products of atorvastatin calcium and the process of the preparation thereof. The present invention also relates to atorvastatin calcium substantially free of oxidative degradation products and the pharmaceutical compositions containing such atorvastatin calcium.
• OXIDATIVE DEGENERATION PRODUCTS OF ATORVASTATIN CALCIUM
  申请人：GRAHEK Rok

  公开号：US20100219063A1

  公开（公告）日：2010-09-02

  The present invention relates to oxidative degradation products of atorvastatin calcium and the process of the preparation thereof. The present invention also relates to atorvastatin calcium substantially free of oxidative degradation products and the pharmaceutical compositions containing such atorvastatin calcium.
• OXIDATIVE DEGRADATION PRODUCTS OF ATROVASTATIN CALCIUM
  申请人：LEK Pharmaceuticals d.d.

  公开号：US20150105551A1

  公开（公告）日：2015-04-16

  The present invention relates to oxidative degradation products of atorvastatin calcium and the process of the preparation thereof. The present invention also relates to atorvastatin calcium substantially free of oxidative degradation products and the pharmaceutical compositions containing such atorvastatin calcium.
• US8044086B2
  申请人：——

  公开号：US8044086B2

  公开（公告）日：2011-10-25