(6,7-Dimethoxy-1,2,4,4a,9,10-hexahydro-3-oxa-10a-aza-phenanthren-2-yl)-piperazin-1-yl-methanone | 23118-39-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: (6,7-Dimethoxy-1,2,4,4a,9,10-hexahydro-3-oxa-10a-aza-phenanthren-2-yl)-piperazin-1-yl-methanone
• 英文别名: 1-(9,10-dimethoxy-(11br)-1,3,4,6,7,11b-hexahydro-[1,4]oxazino[3,4-a]isoquinoline-3t-carbonyl)-piperazine
• CAS: 23118-39-0；67025-79-0
• 化学式: C₁₉H₂₇N₃O₄
• 分子量: 361.441
• InChiKey: VSGOBFVPGBXDSN-YJBOKZPZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.43
• 重原子数：
  26.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  63.27
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  哌嗪 、 9,10-dimethoxy-(11br)-1,3,4,6,7,11b-hexahydro-[1,4]oxazino[3,4-a]isoquinoline-3t-carboxylic acid; hydrochloride 生成 (6,7-Dimethoxy-1,2,4,4a,9,10-hexahydro-3-oxa-10a-aza-phenanthren-2-yl)-piperazin-1-yl-methanone
  参考文献：
  名称：

  A series of hexahydro[1,4]oxazino[3,4-a]isoquinolines as potential neuroleptics

  摘要：

  The synthesis and stereochemistry of trans-N,N-diethyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro[1,4]oxazino[3,4-a]isoquinoline-3-carboxamide hydrochloride (16) and a series of analogues are described. 16 and its (+) isomer had neuroleptic properties in the Sidman avoidance test in gerbils. A few closely related amides of the trans series were active but cis amides were inactive as neuroleptics.

  DOI：

  10.1021/jm00206a013