9,10-dimethoxy-(11br)-1,3,4,6,7,11b-hexahydro-[1,4]oxazino[3,4-a]isoquinoline-3t-carboxylic acid diethylamide | 23118-45-8

• 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: 9,10-dimethoxy-(11br)-1,3,4,6,7,11b-hexahydro-[1,4]oxazino[3,4-a]isoquinoline-3t-carboxylic acid diethylamide
• 英文别名: N,N-Diethyl-1,3,4,6,7,11b-hexahydro-(1,4)oxazino(3,4-a)isoquinoline-3-carboxamide；(3S,11bR)-N,N-diethyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-[1,4]oxazino[3,4-a]isoquinoline-3-carboxamide
• CAS: 23118-45-8；67069-39-0；67069-40-3；67069-41-4；67069-43-6
• 化学式: C₁₉H₂₈N₂O₄
• 分子量: 348.442
• InChiKey: LCOQCSWRNWGOIT-YJBOKZPZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  51.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  9,10-dimethoxy-(11br)-1,3,4,6,7,11b-hexahydro-[1,4]oxazino[3,4-a]isoquinoline-3t-carboxylic acid methyl ester 生成 9,10-dimethoxy-(11br)-1,3,4,6,7,11b-hexahydro-[1,4]oxazino[3,4-a]isoquinoline-3t-carboxylic acid diethylamide
  参考文献：
  名称：

  CLARKE F. H.; HILL R. T.; KOO J.; LOPANO R. M.; MASEDA M. A.; SMITH M.; S+, J. MED. CHEM., 1978, 21, NO 8, 785-791

  摘要：

  DOI：

文献信息

• A series of hexahydro[1,4]oxazino[3,4-a]isoquinolines as potential neuroleptics
  作者：Frank H. Clarke、Ronald T. Hill、John Koo、Rose M. Lopano、Miguel A. Maseda、Michael Smith、Steven Soled、Gisbert Von Veh、Isadoros Vlattas

  DOI：10.1021/jm00206a013

  日期：1978.8

  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.