1-[(3R,5S,8R,9S,10S,13R,14S,17S)-17-[(1S)-1-hydroxyethyl]-3,10-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-13-yl]ethanone

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: 1-[(3R,5S,8R,9S,10S,13R,14S,17S)-17-[(1S)-1-hydroxyethyl]-3,10-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-13-yl]ethanone
• 化学式: C₂₃H₃₈O₂
• 分子量: 346.5
• InChiKey: GQAVSIPLFQYZFY-BTZHUZMHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• NEUROACTIVE 13, 17-SUBSTITUTED STEROIDS AS MODULATORS FOR GABA TYPE-A RECEPTORS
  申请人：WASHINGTON UNIVERSITY

  公开号：US20140249120A1

  公开（公告）日：2014-09-04

  The present disclosure is generally directed to neuroactive 13,17-substituted steroids as referenced herein, and pharmaceutically acceptable salts thereof, for use as, for example, an anesthetic, and/or in the treatment of disorders relating to GABA function and activity. The present disclosure is further directed to pharmaceutical compositions comprising such compounds.

  本公开涉及神经活性的13,17-取代类固醇，以及其药用盐，例如作为麻醉剂使用，和/或用于治疗与GABA功能和活性相关的疾病。本公开还涉及包含这些化合物的药物组合物。
• US9512170B2
  申请人：——

  公开号：US9512170B2

  公开（公告）日：2016-12-06