| 1491140-58-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 1491140-58-9
• 化学式: C₁₂H₉N₃O₅S*C₄₂H₇₀O₃₅
• 分子量: 1442.28
• InChiKey: CNRUJOWXBYWJMY-ZQOBQRRWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -13.0
• 重原子数：
  98.0
• 可旋转键数：
  11.0
• 环数：
  23.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  665.48
• 氢给体数：
  22.0
• 氢受体数：
  42.0

反应信息

• 作为产物：
  描述：

  硝唑尼特 、 β-环糊精 以 aq. phosphate buffer 为溶剂， 生成
  参考文献：
  名称：

  Electrochemical and spectral characterization of the host-guest inclusion complex of the antiparasitic drug nitazoxanide with β-cyclodextrin

  摘要：

  The formation of a host-guest inclusion complex of the antiparasitic drug nitazoxanide (NTZ) with beta-cyclodextrin (beta-CD) in aqueous solution has been characterized by electrochemical methods, cyclic and differential pulse voltammetry, and UV-Vis absorption spectroscopy. The nature of the host-guest inclusion complex between NTZ and beta-CD has been elucidated. The experimental results confirmed the existence of 1:1 inclusion complex of NTZ with beta-CD. The binding constants describing the extent of formation of the complexes have been determined, using Benesi-Hildebrand plots, using voltammetry and UV-Vis spectroscopy. NTZ exhibits an affinity for beta-CD. A special configuration of the complex has been proposed..

  DOI：

  10.1007/s00706-013-1109-1