2-chloro-1-[(1S,12S,14R)-14-hydroxy-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-4-yl]ethanone

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 石蒜科生物碱
• 英文名称: 2-chloro-1-[(1S,12S,14R)-14-hydroxy-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-4-yl]ethanone
• 化学式: C₁₈H₂₀ClNO₄
• 分子量: 349.8
• InChiKey: OPNSABZBZCMSRL-YEWDVWPNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  59
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• VERFAHREN ZUR HERSTELLUNG VON DERIVATEN DES 4A,5,9,10,11,12-HEXAHYDROBENZOFURO [3A,3,2][ 2 ]- BENZAZEPINS
  申请人：Sanochemia Pharmazeutika Aktiengesellschaft

  公开号：EP1667770B1

  公开（公告）日：2009-03-11
• Novel derivatives of 4a,5,9,10,11,12-hexahydrobenzofuro[3a,3,2][2]-benzazepine, method for the production thereof and use thereof in the production of medicaments
  申请人：Czollner Laszlo

  公开号：US20070105837A1

  公开（公告）日：2007-05-10

  The invention relates to novel derivatives of 4a,5,9,10,11,12-hexahydro-benzofuro[3a,3,2] [2]benzazepine of general formulae 1a, 1b and 1c. Compounds 1a, 1b and 1c can be produced in an efficient manner on an industrial scale with the desired optical purity and are suitable for the production of medicaments for the treatment of a diverse range of symptoms, particularly diseases of the central nervous system (CNS), on account of the pharmacological effect thereof.