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Vibrational spectroscopic study of budesonide
Author(s) -
Ali H. R. H.,
Edwards H. G. M.,
Kendrick J.,
Munshi T.,
Scowen I. J.
Publication year - 2007
Publication title -
journal of raman spectroscopy
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.748
H-Index - 110
eISSN - 1097-4555
pISSN - 0377-0486
DOI - 10.1002/jrs.1744
Subject(s) - budesonide , basis set , raman spectroscopy , infrared , ab initio , chemistry , basis (linear algebra) , wavenumber , computational chemistry , molecular physics , analytical chemistry (journal) , physics , density functional theory , mathematics , organic chemistry , optics , geometry , medicine , inhalation , anatomy
Abstract The Raman spectrum of budesonide is reported for the first time, and molecular assignments are proposed on the basis of ab initio BLYP DFT calculations with a 6‐31 G* basis set and vibrational wavenumbers predicted on a quasi‐harmonic approximation. Comparison with previously published infrared data has explained several spectral features, and the relative band intensities in the CO and CC stretching regions are interpreted. The results from this study provide data that can be used for the preparative process monitoring of budesonide, an important steroidal pharmaceutical in various dosage forms, and its interaction with excipients and other components. Copyright © 2007 John Wiley & Sons, Ltd.