8β-acetyldihydrpcodeine | 72703-87-8

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 吗啡烷
• 英文名称: 8β-acetyldihydrpcodeine
• CAS: 72703-87-8
• 化学式: C₂₀H₂₅NO₄
• 分子量: 343.423
• InChiKey: YMJKRNIUCBEMNB-PEQZTVTMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.54
• 重原子数：
  25.0
• 可旋转键数：
  2.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  59.0
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  8β-acetyldihydrpcodeine 在 乙酸酐 、 二甲基亚砜 作用下， 以 乙醚 、 苯 为溶剂， 反应 1.5h， 生成 8β-(1-hydroxy-1-methyl-n-pentyl)dihydrocodeinone
  参考文献：
  名称：

  Rm values and structure-activity relationship of benzodiazepines

  摘要：

  Quantitative structure-activity relationships (QSAR) have been formulated for the activities of a series of benzodiazepines in rats. The lipophilic character of molecules was expressed by means of the chromatographic Rm values which were very well correlated with experimental or calculated log P values. The ideal lipophilic character for activity of benzodiazepines in the exploratory behavior test is not far from that of compounds acting in the central nervous system as unspecific depressant agents. The results of both the conflict and exploratory behavior studies might support the hypothesis of different sites of action for the antianxiety and sedative effects of benzodiazepines.

  DOI：

  10.1021/jm00176a016
• 作为产物：
  描述：

  可待因酮 在 sodium tetrahydroborate 、 copper(l) iodide 作用下， 以 甲醇 为溶剂， 反应 1.58h， 生成 8β-acetyldihydrpcodeine
  参考文献：
  名称：

  Rm values and structure-activity relationship of benzodiazepines

  摘要：

  Quantitative structure-activity relationships (QSAR) have been formulated for the activities of a series of benzodiazepines in rats. The lipophilic character of molecules was expressed by means of the chromatographic Rm values which were very well correlated with experimental or calculated log P values. The ideal lipophilic character for activity of benzodiazepines in the exploratory behavior test is not far from that of compounds acting in the central nervous system as unspecific depressant agents. The results of both the conflict and exploratory behavior studies might support the hypothesis of different sites of action for the antianxiety and sedative effects of benzodiazepines.

  DOI：

  10.1021/jm00176a016