1H-NMR study of the inclusion processes for alpha- and gamma-cyclodextrin with fenbufen |
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| Authors: | Bratu I Gavira-Vallejo J M Hernanz A |
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| Affiliation: | National R&D Institute for Isotopic and Molecular Technologies, P. O. Box 700, R-400293 Cluj-Napoca 5, Romania. |
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| Abstract: | 1H-NMR spectra of aqueous solutions of fenbufen and two cyclodextrins (alpha- or gamma-cyclodextrin, respectively) mixtures confirm the formation of an inclusion complex if gamma-cyclodextrin is used, whereas in the case of alpha-cyclodextrin no inclusion complex was obtained. The stoichiometry of the fenbufen/gamma-cyclodextrin complex is of the [2:1] type. The geometry of this supramolecular architecture was established through MM+ molecular mechanics calculations. |
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| Keywords: | α‐cyclodextrin γ‐cyclodextrin inclusion complexes anti‐inflammatory drugs fenbufen 1H‐NMR stoichiometry stability constant molecular modeling |
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