5,5-dimethyl[3-[[4-(3-ethoxyphenyl)-1-piperazinyl]butyl]amino]-2-cyclohexen-1-one | 90931-09-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 5,5-dimethyl[3-[[4-(3-ethoxyphenyl)-1-piperazinyl]butyl]amino]-2-cyclohexen-1-one
• 英文别名: 3-((4-(4-(3-Ethoxyphenyl)-1-piperazinyl)butyl)amino)-5,5-dimethyl-2-cyclohexen-1-one；3-[4-[4-(3-ethoxyphenyl)piperazin-1-yl]butylamino]-5,5-dimethylcyclohex-2-en-1-one
• CAS: 90931-09-2
• 化学式: C₂₄H₃₇N₃O₂
• 分子量: 399.577
• InChiKey: CBLMDPUGHGWHDY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  29
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  44.8
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• Substituted phenylpiperazine compounds suitable as antihypertensive agents, and processes for their production
  申请人：WARNER-LAMBERT COMPANY

  公开号：EP0103357A2

  公开（公告）日：1984-03-21

  Certain substituted phenylpiperazine compounds suitable for use an antihypertensive agents are described, as are processes for their preparation. The novel compounds have the formula: wherein A is n is 2, 3 or 4; and R1 is a hydrogen atom, an alkyl radical having from one to six carbon atoms or an alkoxy radical having from one to six carbon atoms; or a pharmaceutically acceptable salt thereof; with the provisos that: when A is A1 and n is 3, R1 is not 3-OCH3; when A is A2 and n is 3, R1 is not 2-OCH3 or 4-OCH3; and, when A is A2 and n is 4, R1 is not 4-CH3 or 4-OCH3.

  本文描述了某些适用于抗高血压药物的取代苯基哌嗪化合物及其制备方法。这些新型化合物的化学式如下 其中 A 是 n为2、3或4；且R1为氢原子、具有1至6个碳原子的烷基或具有1至6个碳原子的烷氧基；或其药学上可接受的盐；但条件是：当A为A1且n为3时，R1不是3-OCH3；当A为A2且n为3时，R1不是2-OCH3或4-OCH3；且当A为A2且n为4时，R1不是4-CH3或4-OCH3。
• US4452798A
  申请人：——

  公开号：US4452798A

  公开（公告）日：1984-06-05