(4aS,5R,9bS)-5-(4-carbomethoxyphenyl)-2-ethyl-2,3,4,4a,5,9b-hexahydro-8-iodo-7-methyl-1H-indeno[1,2-c]-pyridine

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (4aS,5R,9bS)-5-(4-carbomethoxyphenyl)-2-ethyl-2,3,4,4a,5,9b-hexahydro-8-iodo-7-methyl-1H-indeno[1,2-c]-pyridine
• 英文别名: methyl 4-[(4aS,5R,9bS)-2-ethyl-8-iodo-7-methyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridin-5-yl]benzoate
• 化学式: C₂₃H₂₆INO₂
• 分子量: 475.369
• InChiKey: DXESXNDWRLUUIA-AGHHOFFYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  hydrochloride salt of (4aS,5R,9bS)-5-(4-carbomethoxyphenyl)-2-ethyl-2,3,4,4a,5,9b-hexahydro-8-iodo-7-methyl-1H-indeno[1,2-c]-pyridine 在 sodium carbonate 作用下， 以 二氯甲烷 、 水 为溶剂， 以98%的产率得到(4aS,5R,9bS)-5-(4-carbomethoxyphenyl)-2-ethyl-2,3,4,4a,5,9b-hexahydro-8-iodo-7-methyl-1H-indeno[1,2-c]-pyridine
  参考文献：
  名称：

  WO2007/124353

  摘要：

  公开号：

文献信息

• SPERMICIDAL AND/OR ANTIFUNGAL COMPOSITION AND METHODS OF USING THE SAME
  申请人：Cook Clarence Edgar

  公开号：US20090149490A1

  公开（公告）日：2009-06-11

  Hexahydroindenopyridine compounds are provided which act as spermicides and/or fungicides, spermicidal and/or fungicidal compositions containing the same, and methods for killing motile sperm and/or fungi using the compounds and compositions.

  提供了六氢吲哚吡啶化合物，可作为杀精剂和/或杀真菌剂，含有该化合物的杀精剂和/或杀真菌剂组合物，以及使用该化合物和组合物杀死活动精子和/或真菌的方法。
• ANTISPERMATOGENIC, SPERMICIDAL AND/OR ANTIFUNGAL COMPOSITION AND METHODS OF USING THE SAME
  申请人：Cook Clarence Edgar

  公开号：US20090238760A1

  公开（公告）日：2009-09-24

  Hexahydroindenopyridine compounds are disclosed which act as contraceptive agents by disrupting spermatogenesis, acting as spermicides or sperm motility inhibitors and/or act as antifungals; antispermatogenic, sperm motility inhibitors, spermicidal or antifungal compositions containing the compounds; and methods for disrupting spermatogenesis, inhibiting sperm motility, killing motile sperm or treating fungi using the compounds and compositions. Also disclosed are radioactive compounds which may be used to study the binding of antifertility compounds to specific sites in the body and the use of such compounds for that purpose.
• US7544696B2
  申请人：——

  公开号：US7544696B2

  公开（公告）日：2009-06-09
• US8193213B2
  申请人：——

  公开号：US8193213B2

  公开（公告）日：2012-06-05