1-methyl-1-(5-trimethylammonio-pentyl)-pyrrolidinium; dibromide | 109042-73-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: 1-methyl-1-(5-trimethylammonio-pentyl)-pyrrolidinium; dibromide
• CAS: 109042-73-1
• 化学式: 2Br*C₁₃H₃₀N₂
• 分子量: 374.203
• InChiKey: OHCATWGVUMABGF-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.89
• 重原子数：
  16.0
• 可旋转键数：
  6.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  1-(5-dimethylamino-pent-2-ynyl)-pyrrolidine 在 乙醇 、 镍 作用下， 生成 1-methyl-1-(5-trimethylammonio-pentyl)-pyrrolidinium; dibromide
  参考文献：
  名称：

  Hypotensive Agents. I. Acetylenic Diamines

  摘要：

  DOI：

  10.1021/ja01550a049

文献信息

• ——
  作者：V. E. Gmiro、N. B. Brovtsyna、S. E. Serdyuk、N. Ya. Lukomskaya

  DOI：10.1023/a:1015017407412

  日期：——

  Forty-three bisammonium ganglionic blockers were synthesized to study the structure of the ion channel of nicotinic acetylcholine receptor. The conformational parameters of these blockers were studied, and their effects toward the ganglionic transmission in situ on the sympathetic feline superior cervical ganglia and in vitro on the parasympathetic guinea-pig small intestine ganglia were determined. A model of the binding site for the bisammonium ganglionic blockers in the neuronal ion channel was proposed.