4-(1,4-dihydro-1,4-epioxido-tribenzo[a,c,e]cyclohepten-9-ylidene)-piperidine | 62591-46-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 二苯并环庚烯
• 英文名称: 4-(1,4-dihydro-1,4-epioxido-tribenzo[a,c,e]cyclohepten-9-ylidene)-piperidine
• 英文别名: 4-(20-Oxapentacyclo[15.2.1.02,16.03,8.010,15]icosa-2(16),3,5,7,10,12,14,18-octaen-9-ylidene)piperidine；4-(20-oxapentacyclo[15.2.1.02,16.03,8.010,15]icosa-2(16),3,5,7,10,12,14,18-octaen-9-ylidene)piperidine
• CAS: 62591-46-2
• 化学式: C₂₄H₂₁NO
• 分子量: 339.437
• InChiKey: RQUVPRCQJIJQJM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  26
• 可旋转键数：
  0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  21.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-(1,4-dihydro-1,4-epioxido-tribenzo[a,c,e]cyclohepten-9-ylidene)-1-methyl-piperidine 生成 4-(1,4-dihydro-1,4-epioxido-tribenzo[a,c,e]cyclohepten-9-ylidene)-piperidine
  参考文献：
  名称：

  A comparison of the antiserotonin, antihistamine, and anticholinergic activity of cyproheptadine with analogs having furan nuclei fused to the 10,11-vinylene bridge

  摘要：

  A series of cyproheptadine derivatives having furan nuclei fused to the 10,11-vinylene bridge has been prepared. None of the compounds retain the potent antiserotonin and antihistaminic actions of cyproheptadine. 1-methyl-4-(1-methyl-8H-dibenzo[a,e]furo[3,4-c]cyclohepten-8-ylidene)piperidine (7), 1-methyl-4-(1,3-dihydro-1-oxo-8H-[3,4:6,7]cycloheptal[1,2-c]furan-8-ylidene)piperidine (10), and its reduction product 11 retained the peripheral anticholinergic activity of cyproheptadine.

  DOI：

  10.1021/jm00216a020

文献信息

• A comparison of the antiserotonin, antihistamine, and anticholinergic activity of cyproheptadine with analogs having furan nuclei fused to the 10,11-vinylene bridge
  作者：David C. Remy、Andrew W. Raab、Kenneth E. Rittle、Edward L. Engelhardt、Alexander Scriabine、Victor J. Lotti

  DOI：10.1021/jm00216a020

  日期：1977.6

  A series of cyproheptadine derivatives having furan nuclei fused to the 10,11-vinylene bridge has been prepared. None of the compounds retain the potent antiserotonin and antihistaminic actions of cyproheptadine. 1-methyl-4-(1-methyl-8H-dibenzo[a,e]furo[3,4-c]cyclohepten-8-ylidene)piperidine (7), 1-methyl-4-(1,3-dihydro-1-oxo-8H-[3,4:6,7]cycloheptal[1,2-c]furan-8-ylidene)piperidine (10), and its reduction product 11 retained the peripheral anticholinergic activity of cyproheptadine.