抗抑郁药盐酸托莫西汀的波谱学特征和结构确证  

Spectral Analysis and Structural Confirmation of the Antidepressant Atomoxetin Hydrochloride

作　　者：陈茹钰 袁金伟[2] CHEN Ruyu;YUAN Jinwei(Department of Pharmacy,The Sixth People’s Hospital of Zhengzhou,Zhengzhou,Henan 450015,China;School of Chemistry and Chemical Engineering,Henan University of Technology,Zhengzhou,Henan 450001,China)

机构地区：[1]郑州市第六人民医院药学部,河南郑州450015 [2]河南工业大学化学化工学院,河南郑州450001

出　　处：《今日药学》2022年第5期357-362,共6页Pharmacy Today

基　　金：河南省教育厅高等学校重点科研项目计划(21A150016)。

摘　　要：目的通过波谱学对R-(-)-N-甲基-3-苯基-3-(2-甲基苯氧基)丙胺盐酸盐(盐酸托莫西汀)的结构进行确证。方法通过紫外(UV)、红外(IR)、核磁共振谱(包括^(1)H NMR、^(13)C NMR、DEPT、^(1)H-^(1)H COSY、^(13)C-^(1)H HSQC、^(13)C-^(1)H HMBC等2D NMR)、高分辨质谱(HR-MS)和电子轰击质谱(EI-MS),确证了盐酸托莫西汀的化学结构。结果对该化合物的^(1)H NMR和^(13)C NMR信号进行了全归属;讨论了紫外和红外特征吸收峰所对应的官能团,并通过电子轰击质谱分析了碎片裂解规律。结论确证了R-(-)-N-甲基-3-苯基-3-(2-甲基苯氧基)丙胺盐酸盐(盐酸托莫西汀)的结构,对其生产中质量控制和结构鉴定提供了依据。OBJECTIVE To determine the chemical structure of(R)-N-methyl-3-phenyl-3-(o-tolyloxy)propan-1-amine hydrochloride(atomoxetine hydrochloride).METHODS The ultraviolet spectrometry(UV),infrared spectrometry(IR),the nuclear magnetic resonance(NMR,including~1H NMR、^(13)C NMR、DEPT、^(1)H-^(1)H COSY、^(13)C-^(1)H HSQC^(13)C-^(1)H HMBC),high resolution mass spectrometry(HR-MS)and electron impact mass spectrometry(El-MS)were adopted to analyze its chemical structure.RESULTS The ^(1)H NMR and^(13)C NMR signals of atomoxetine hydrochloride were assigned,and the types of vibration of the functional groups were discussed based on the infrared spectrum and ultraviolet spectrum.Moreover,mass fragment rules of atomoxetine hydrochloride were also elucidated using El-MS.CONCLUSION The chemical structure of(R)-N-methyl-3-phenyl-3-(o-tolyloxy)propan-1-amine hydrochloride is verified,and this experiment provides a reference for the production and identification of atomoxetine hydrochloride.

关 键 词：盐酸托莫西丁 核磁共振谱 红外光谱 质谱 结构确证 

分 类 号：R914[医药卫生—药物化学]