3-(((2-Phenyl-2-cyclohexen-1-yl)carbonyl)oxy)-8,8-diethyl-8-azoniabicyclo(3.2.1)octane iodide | 111372-42-0

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 托烷生物碱
• 英文名称: 3-(((2-Phenyl-2-cyclohexen-1-yl)carbonyl)oxy)-8,8-diethyl-8-azoniabicyclo(3.2.1)octane iodide
• 英文别名: (8,8-diethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-phenylcyclohex-2-ene-1-carboxylate;iodide
• CAS: 111372-42-0
• 化学式: C24H34INO2
• 分子量: 495.4
• InChiKey: MKEQJLITXBFUAQ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  1.97
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  3

文献信息

• Esters of N-alkyl-nortropines and their quaternary derivatives having anti-bronchospastic activity, process for their preparation and pharmaceutical compositions containing them
  申请人：Laboratori Guidotti S.p.A.

  公开号：EP0234400A1

  公开（公告）日：1987-09-02

  The esters of N-alkyl-nortropines with phenyl-cyclohexen-carboxylic and phenyl-cyclohexen-acetic acids and their quaternary ammonium derivatives with alkyl halides and alkyl sulphates having general formula: wherein when and when whereas R'= -, -H, -CH3, -CH2-CH3, -CH2-CH2-CH3, -CH(CH3)2, -CH2-CH2-CH2-CH3, -CH2-CH-(CH3)2 X- = Cl, Br, J, CH3S04 show anti-bronchospastic activity. The invention relates also to the processes for their preparation and to the pharmaceutical compositions containing them.

  N-烷基去甲托品与苯基-环己烯-羧酸和苯基-环己烯-乙酸的酯及其与烷基卤化物和烷基硫酸盐的季铵盐衍生物，其通式为 其中 当 和 而 R'= -、-H、-CH3、-CH2- 、- - - 、-CH( )2、- - - - 、- -CH-( )2 X- = Cl、Br、J、 S04 显示抗支气管痉挛活性。 本发明还涉及它们的制备工艺和含有它们的药物组合物。