(1R,3aR,8aS,9aR)-5-but-3-enyl-9a-methyl-1-[(2-methylpropan-2-yl)oxy]-2,3,3a,4,7,8,8a,9-octahydro-1H-cyclopenta[b]naphthalen-6-one

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (1R,3aR,8aS,9aR)-5-but-3-enyl-9a-methyl-1-[(2-methylpropan-2-yl)oxy]-2,3,3a,4,7,8,8a,9-octahydro-1H-cyclopenta[b]naphthalen-6-one
• 化学式: C₂₂H₃₄O₂
• 分子量: 330.5
• InChiKey: HYVFFZFHZDBALQ-KUNVHTHFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

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