Structure of Alprazolam Derived from NMR Spectroscopy

Chinese Journal of Magnetic Resonance ›› 2009, Vol. 26 ›› Issue (2): 272-278.

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Structure of Alprazolam Derived from NMR Spectroscopy

QU Zhi-bo¹；CHEN Xiao-lan¹*；QU Ling-bo^1,2；YUAN Jin-wei¹；
LU Jian-sha¹；ZHAO Yu-fen^1,3

(1.Key Laboratory of Chemical Biology and Organic Chemistry, Department of Chemistry, Zhengzhou University, Zhengzhou 450002, China; 2.School of Chemistry and Chemical Engineering, Henan University of Technology, 
Zhengzhou 450052, China; 3.Key Laboratory of Bioorganic Phosphorus Chemistry & Chemical Biology, Ministry of Education, Department of Chemistry, Tsinghua University, Beijing 10084, China）

Received:2008-11-14 Revised:2008-12-18 Online:2009-06-05 Published:2009-12-05
Contact: CHEN Xiao-lan

Abstract

Abstract: Alprazolam is an antidepressant drug used extensively in clinic. In this study, ¹H and ¹³C chemical shifts of the compound were completely assigned using 2D NMR techniques, including DEPT, ¹H-¹H COSY, ¹³C-¹H HSQC and ¹³C-¹H HMBC. Both NMR data and theoretical calculation showed that the methylene protons in the compound are magnetically non-equivalent. The infrared spectra and TOF-MS/MS spectra of alprazolam were also recorded.

Key words: NMR, assignment, IR, TOF MS, alprazolam

CLC Number:

O641

QU Zhi-bo¹；CHEN Xiao-lan¹*；QU Ling-bo^1,2；YUAN Jin-wei¹；
LU Jian-sha¹；ZHAO Yu-fen^1,3. Structure of Alprazolam Derived from NMR Spectroscopy[J]. Chinese Journal of Magnetic Resonance, 2009, 26(2): 272-278.

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Structure of Alprazolam Derived from NMR Spectroscopy

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