| 521964-99-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 521964-99-8
• 化学式: C₁₃H₂₀N₂O*C₄₂H₇₀O₃₅
• 分子量: 1355.31
• InChiKey: GYDDJNPQHJPADS-ZQOBQRRWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -12.91
• 重原子数：
  93.0
• 可旋转键数：
  12.0
• 环数：
  22.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  595.18
• 氢给体数：
  23.0
• 氢受体数：
  37.0

反应信息

• 作为产物：
  描述：

  丙胺卡因 、 β-环糊精 以 甲醇 为溶剂， 反应 24.0h， 生成
  参考文献：
  名称：

  Guest:host interactions of lidocaine and prilocaine with natural cyclodextrins: Spectral and molecular modeling studies

  摘要：

  Inclusion complex formation of two local anesthetics drugs (lidocaine (LC) and prilocaine (PC)) with α- and β-cyclodextrins (CDs) in aqueous solution were studied by absorption, fluorescence, time-resolved fluorescence and molecular modeling methods. The formation of inclusion complexes was confirmed by 1H NMR, FTIR, differential scanning calorimetry, SEM, TEM and X-ray diffractometry. Both drugs formed 1:1 inclusion complex and exhibit biexponential decay in water whereas triexponential decay in the CD solution. Nanosized self-aggregated particles of drug: CD complexes were found by TEM. Both experimental and theoretical studies revealed that the phenyl ring with the amide group of the drug is encapsulated in the hydrophobic CD nanocavity. Investigations of energetic and thermodynamic properties confirmed the stability of the inclusion complexes. van der Waals interactions are mainly responsible for enthalpy driven complex formation of LC and PC with CDs.

  DOI：

  10.1016/j.saa.2014.04.123