(3S,4aR,6aR,7aS,10aS,11aR,11bR)-3-(methoxymethoxy)-7a,11b-dimethyl-2,3,4,4a,5,6,6a,7,10,10a,11,11a-dodecahydro-1H-cyclopenta[b]phenanthrene-8-carbonitrile

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (3S,4aR,6aR,7aS,10aS,11aR,11bR)-3-(methoxymethoxy)-7a,11b-dimethyl-2,3,4,4a,5,6,6a,7,10,10a,11,11a-dodecahydro-1H-cyclopenta[b]phenanthrene-8-carbonitrile
• 化学式: C₂₂H₃₃NO₂
• 分子量: 343.5
• InChiKey: IFFOTLZXWSKSJT-CNGUMKPASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  42.2
• 氢给体数：
  0
• 氢受体数：
  3

文献信息

• US20140256805A1
  申请人：——

  公开号：US20140256805A1

  公开（公告）日：2014-09-11
• NEUROACTIVE SUBSTITUTED CYCLOPENTA[b]PHENANTHRENES AS MODULATORS FOR GABA TYPE-A RECEPTORS
  申请人：Washington University

  公开号：US20160326127A1

  公开（公告）日：2016-11-10

  The present disclosure is generally directed to neuroactive substituted cyclopenta[b]phenanthrenes 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.
• US9365502B2
  申请人：——

  公开号：US9365502B2

  公开（公告）日：2016-06-14