陈茹钰;袁金伟;
CHEN Ruyu;YUAN Jinwei;Department of Pharmacy,The Sixth People's Hospital of Zhengzhou;School of Chemistry and Chemical Engineering,Henan University of Technology;

• 1:郑州市第六人民医院药学部
• 2:河南工业大学化学化工学院

摘要(Abstract)：

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¹H NMR、1H NMR、⁽¹³⁾C NMR、DEPT、(13)C NMR、DEPT、¹H-1H-¹H COSY、1H COSY、⁽¹³⁾C-(13)C-¹H HSQC、1H HSQC、⁽¹³⁾C-(13)C-¹H 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1H 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¹H NMR和1H 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 (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、1H NMR、⁽¹³⁾C NMR、DEPT、(13)C NMR、DEPT、¹H-1H-¹H COSY、1H COSY、⁽¹³⁾C-(13)C-¹H HSQC 1H HSQC ⁽¹³⁾C-(13)C-¹H HMBC),high resolution mass spectrometry(HR-MS) and electron impact mass spectrometry(El-MS) were adopted to analyze its chemical structure.RESULTS The 1H HMBC),high resolution mass spectrometry(HR-MS) and electron impact mass spectrometry(El-MS) were adopted to analyze its chemical structure.RESULTS The ¹H NMR and 1H 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(KeyWords)： 盐酸托莫西丁;核磁共振谱;红外光谱;质谱;结构确证
atomoxetine hydrochloride;NMR spectra;infrared spectrum;mass spectrum;structural confirmation

Abstract:

Keywords:

基金项目(Foundation): 河南省教育厅高等学校重点科研项目计划（21A150016）

作者(Authors): 陈茹钰;袁金伟;
CHEN Ruyu;YUAN Jinwei;Department of Pharmacy,The Sixth People's Hospital of Zhengzhou;School of Chemistry and Chemical Engineering,Henan University of Technology;

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