6-[4-[2-(dimethylazaniumyl)-1-(1-hydroxycyclohexyl)ethyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylate

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 6-[4-[2-(dimethylazaniumyl)-1-(1-hydroxycyclohexyl)ethyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylate
• 化学式: C22H33NO8
• 分子量: 439.5
• InChiKey: GRDOISGIGBUYGA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.2
• 重原子数：
  31
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  140
• 氢给体数：
  5
• 氢受体数：
  9

文献信息

• Isolated hydroxy and n-oxide metabolites and derivatives of O-desmethylvenlafaxine and methods of treatment
  申请人：Hoffmann Matthew J.

  公开号：US20080261895A1

  公开（公告）日：2008-10-23

  The present invention provides novel isolated compounds characterized as metabolites or derivatives of desmethylvenlafaxine including hydroxy-DV metabolites, hydroxy-DV-glucuronide metabolites, N-oxide-DV metabolites, and benzyl-hydroxy-DV metabolites. The invention includes pharmaceutical compositions comprising any of the metabolites or derivatives of the invention in combination with a pharmaceutically acceptable carrier or excipient. The invention also includes a method of treating at least one central nervous system disorder in a mammal comprising providing to a mammal in need thereof an effective amount of the compounds of the invention.