(3R,3aR,7aR)-3a-methyl-3-[(2-methylpropan-2-yl)oxy]-6-oxo-5-(3-oxooct-7-enyl)-1,2,3,4,7,7a-hexahydroindene-5-carboxylic acid

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (3R,3aR,7aR)-3a-methyl-3-[(2-methylpropan-2-yl)oxy]-6-oxo-5-(3-oxooct-7-enyl)-1,2,3,4,7,7a-hexahydroindene-5-carboxylic acid
• 化学式: C₂₃H₃₆O₅
• 分子量: 392.5
• InChiKey: UZHGYJZAYDTDRV-ASSJHVRCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  28
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  80.7
• 氢给体数：
  1
• 氢受体数：
  5

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