calcium;(3R,5R)-3-[(3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-[(2S)-2-methylbutanoyl]oxy-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoyl]oxy-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-5-hydroxyheptanoate;(3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: calcium;(3R,5R)-3-[(3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-[(2S)-2-methylbutanoyl]oxy-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoyl]oxy-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-5-hydroxyheptanoate;(3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate
• 化学式: C89H102CaF2N4O16
• 分子量: 1561.8
• InChiKey: NVWFLPVKEBIMKF-KUVYIVSQSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  12.5
• 重原子数：
  112
• 可旋转键数：
  35
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  322
• 氢给体数：
  8
• 氢受体数：
  18

文献信息

• Methods for reducing the risk of an adverse teriflunomide and rosuvastatin interaction in multiple sclerosis patients
  申请人：SANOFI

  公开号：EP2762135A1

  公开（公告）日：2014-08-06

  This invention relates to a method for managing the risk of an adverse interaction between teriflunomide and a substrate of breast cancer resistance protein (BCRP) and / or organic anion transporting polypeptide B1 and B3 (OATP1B1/B3).

  本发明涉及一种控制特立氟胺与乳腺癌抗性蛋白（BCRP）和/或有机阴离子转运多肽 B1 和 B3（OATP1B1/B3）底物之间不良相互作用风险的方法。
• INHALED STATINS AS BRONCHODILATORS TO IMPROVE LUNG FUNCTION IN RESPIRATORY DISEASES
  申请人：The Regents of the University of California

  公开号：EP3946268A1

  公开（公告）日：2022-02-09
• US20140256758A1
  申请人：——

  公开号：US20140256758A1

  公开（公告）日：2014-09-11
• METHODS FOR REDUCING THE RISK OF AN ADVERSE TERIFLUNOMIDE AND ROSUVASTATIN INTERACTION IN MULTIPLE SCLEROSIS PATIENTS
  申请人：SANOFI

  公开号：US20160030427A1

  公开（公告）日：2016-02-04

  This invention relates to a method for managing the risk of an adverse interaction between teriflunomide and a substrate of breast cancer resistance protein (BCRP) and/or organic anion transporting polypeptide B1 and B3 (OATP1B1/B3).
• US9186346B2
  申请人：——

  公开号：US9186346B2

  公开（公告）日：2015-11-17