Please use this identifier to cite or link to this item: http://hdl.handle.net/20.500.12779/4883
Title: NMR studies of the inclusion complex between β-cyclodextrin and paroxetine
Authors: Bernini, Andrea 
Spiga, Ottavia 
A., Ciutti
M., Scarselli
G., Bottoni
P., Mascagni
Niccolai, Neri 
Issue Date: 2004
Project: None 
Journal: EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES
Abstract: 
A 1H and 13C NMR study on the inclusion complex of paroxetine with beta-cyclodextrin was carried out in order to define the stoichiometry of the association and its strength. Proton and carbon chemical shift measurements of paroxetine and beta-cyclodextrin were performed at several molar ratios and temperatures, allowing the determination of a 1:1 stoichiometry and an association constant value of the order of 2 x 10(3) for the paroxetine-beta-cyclodextrin complex. Overhauser effects in the rotating frame were also measured, and the experimental interproton distance constraints have been used for molecular model building of the complex. The obtained model indicates that the benzodioxolyl moiety of paroxetine is deeply inserted in the cavity of the cylindrical structure of beta-cyclodextrin, while the fluoro-phenyl ring lays above the wider rim.
Description: 
47313
URI: http://hdl.handle.net/20.500.12779/4883
ISSN: 0928-0987
DOI: 10.1016/j.ejps.2004.04.007
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