Spectroscopic studies of aripiprazole

The ultraviolet spectrum (UV), infrared spectrum (IR), nuclear magnetic resonance (NMR) and mass spectrum (MS) of aripiprazole, a new antipsychotic drug, were reported and interpreted. The structure of aripiprazole in solution was studied according to the UV spectra detected in solution with differe...

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Bibliographic Details
Published inGuang pu xue yu guang pu fen xi Vol. 27; no. 5; p. 863
Main Authors Li, Jian-feng, Liu, Ai-xiang, Xia, Guang-xin, Nian, Yi-feng, Shen, Jing-shan
Format Journal Article
LanguageChinese
Published China 01.05.2007
Subjects
Aripiprazole
Magnetic Resonance Spectroscopy - methods
Mass Spectrometry - methods
Molecular Structure
Piperazines - analysis
Quinolones - analysis
Spectrophotometry, Infrared - methods
Spectrophotometry, Ultraviolet - methods
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Summary:The ultraviolet spectrum (UV), infrared spectrum (IR), nuclear magnetic resonance (NMR) and mass spectrum (MS) of aripiprazole, a new antipsychotic drug, were reported and interpreted. The structure of aripiprazole in solution was studied according to the UV spectra detected in solution with different pH values. The vibrations of functional groups of this compound in IR and the isotopic ion peaks in MS were discussed. Moreover, the 2D-NMR techniques, including 1H-1H correlation spectroscopy (1H-1H cosy), heteronuclear single-quantum coherence (HSQC), and heteronuclear multiple-bond correlation (HMBC), were used to deduce the structure of this compound. All the 1H NMR and 13C NMR signals were assigned. Especially, the ten different methylenes in this structure were analyzed according to the chemical shifts, coupling constants and correlations in 2D-NMR spectrum. By all these spectral techniques, the structure of aripiprazole was identified.
ISSN:1000-0593