[(4R,4aS,7aR,12bS)-4a-hydroxy-7-oxo-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl] decanoate | 52075-93-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: [(4R,4aS,7aR,12bS)-4a-hydroxy-7-oxo-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl] decanoate
• CAS: 52075-93-1
• 化学式: C₂₉H₃₉NO₅
• 分子量: 481.632
• InChiKey: MZAYMHMGOUESCQ-FQYQUSJJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  35
• 可旋转键数：
  12
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.66
• 拓扑面积：
  76.1
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  盐酸纳洛酮 、 癸酰氯 以 二氯甲烷 为溶剂， 生成 [(4R,4aS,7aR,12bS)-4a-hydroxy-7-oxo-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl] decanoate
  参考文献：
  名称：

  Studies of 3-O-acyl derivatives of naloxone as its potential prodrugs

  摘要：

  An efficient method has been proposed for the preparation of a series of 3-O-acyl derivatives of naloxone. The features of the steric structure and NMR spectra are discussed. Pharmaceutical investigation has shown the promise within the synthesized compounds of creating opiate receptor antagonist compounds with prolonged action.

  DOI：

  10.1007/s10593-009-0278-7