| 1189792-11-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• CAS: 1189792-11-7
• 化学式: C₇H₅NO₃S*C₁₇H₁₈FN₃O₃
• 分子量: 514.534
• InChiKey: ZBULMJCDHKJNGG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  36.0
• 可旋转键数：
  3.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  137.81
• 氢给体数：
  3.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  环丙沙星 、 糖精 以 水 为溶剂， 生成
  参考文献：
  名称：

  Crystallographic, thermal and spectroscopic characterization of a ciprofloxacin saccharinate polymorph

  摘要：

  A new polymorphic form of ciprofloxacin saccharinate (CIP-SAC II) is presented, and compared with CIP-SAC I, a different polymorph which we had previously reported. The characterization techniques used were single crystal and powder X-ray diffraction, differential scanning calorimetry, thermogravimetry analysis and infrared and C-13 solid-state nuclear magnetic resonance spectroscopy. The results obtained from these techniques are consistent. Differential scanning calorimetry and thermogravimetric analysis showed that the reaction between the precursors is completed and the crystalline forms of both salts obtained (land II) are highly pure. Infrared spectroscopy gave clear evidence of a salt formation. Solidstate nuclear magnetic resonance spectroscopy would indicate some degree of qualitative similarity in the intermolecular interaction scheme in both polymorphs, while thermal analysis data might indicate a difference in quantitative terms. A thorough single crystal structure determination of the new form CIP-SAC II allowed disclosing the most important inter- and intramolecular interactions. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ijpharm.2010.03.007