波谱学杂志 ›› 2006, Vol. 23 ›› Issue (3): 341-348.

• 研究论文 • 上一篇    下一篇

新药盐酸洛美利嗪的波谱特征与结构确证

陈玥, 李剑峰, 韦亚兵, 沈敬山   

  1. 1.南京工业大学 材料科学与工程学院, 江苏 南京 210009;2.中国科学院 上海生命科学院上海药物研究所, 上海 200031
  • 收稿日期:2005-11-30 修回日期:2006-01-19 出版日期:2006-09-05 发布日期:2009-12-05
  • 通讯作者: 韦亚兵

Spectral Data Deduced Structure of New Drug Lomerizine Dihydrochloride

CHEN Yue, LI Jian-feng, WEI Ya-bing, SHEN Jing-shan   

  1. 1.Nanjing University of Technology, Nanjing 210009; 2.Shanghai Institute of Materia Medica, Shanghai Institutes for Biological Sciences, Chinese Academy of Sciences, Shanghai 201203
  • Received:2005-11-30 Revised:2006-01-19 Online:2006-09-05 Published:2009-12-05
  • Contact: WEI Ya-bing

摘要: 对盐酸洛美利嗪的紫外光谱(UV)、红外光谱(IR)、一维及二维核磁共振谱(1H NMR、 13C NMR、1H-1H COSY、HMQC、HMBC)以及质谱(MS)进行了解析和报道, 对其所有的NMR谱信号进行了归属, 同时讨论了质谱的主要碎片离子的可能的裂解方式和红外特征吸收峰所对应的官能团的振动形式. 通过多种波谱技术确证了盐酸洛美利嗪的结构.

关键词: 核磁共振谱, 结构确证, 盐酸洛美利嗪, 紫外光谱, 红外光谱, 质谱

Abstract: The ultraviolet spectrum, infrared spectrum, 1D and 2D nuclear magnetic resonance (1H NMR, 13C NMR, 1H-1H COSY, HMQC and HMBC) spectra and mass spectra of new drug lomerizine dihydrochloride were reported and interpreted. All the NMR signals were assigned. Based on the mass spectral data, the possible fragmentation pathways were discussed. The infrared spectrum was analyzed to derive the types of vibration of the functional groups of this compound. The structure of the compound was determined.

Key words: nuclear magnetic resonance, structure elucidation, lomerizine dihydrochloride, ultraviolet spectrum, infrared spectrum, mass spectrum

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