| 1608122-69-5

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 金鸡纳生物碱
• CAS: 1608122-69-5
• 化学式: C₆H₂Cl₂O₄*C₂₀H₂₄N₂O₂
• 分子量: 533.408
• InChiKey: IGSWVLHBQMNNAX-VJAUXQICSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.33
• 重原子数：
  36.0
• 可旋转键数：
  4.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  120.19
• 氢给体数：
  3.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  氯冉酸 、 奎尼丁 以 甲醇 为溶剂， 反应 0.01h， 生成
  参考文献：
  名称：

  Nano-structured complexes of reserpine and quinidine drugs with chloranilic acid based on intermolecular H-bond: Spectral and surface morphology studies

  摘要：

  The study of the drug-acceptor interaction may be useful in understanding the drug-receptor interactions and the mechanism of drug action. Here, complexes of reserpine (Res) and quinidine (Qui) drugs with chloranilic acid (CLA) have been synthesized. Then, these complexes were characterized chemically and structurally using CHN elemental analysis, infrared (IR) and electronic absorption spectroscopy, X-ray diffraction (XRD) and scanning electron microscopy (SEM). The stoichiometry of the H-bonded complex was found to have a 1:1 ratio, so these complexes can be formulated as [(Drug)(CLA)]. IR measurements confirmed the presence of intermolecular H-bond. Application of Debye-Scherrer equation indicates that the formed complexes are in the range of nano-size. The Res complex exhibits a remarkable crystalline morphology. It was also found that the particle size of Res complex is 1.533 time higher than that of Qui complex. Interestingly, free Res molecular weight is higher than that of free Qui by the same ratio (precisely; 1.525). (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2014.02.077