1H NMR spectroscopic investigation of β-cyclodextrin inclusion compounds with parecoxib
- Resource Type
- Authors
- Mamoru Koketsu; Fahmeena Asmat; Syed Mashhood Ali
- Source
- Journal of Inclusion Phenomena and Macrocyclic Chemistry. 59:191-196
- Subject
- chemistry.chemical_classification
Aqueous solution
Cyclodextrin
Stereochemistry
Aromaticity
General Chemistry
Nuclear magnetic resonance spectroscopy
Condensed Matter Physics
Ring (chemistry)
NMR spectra database
Crystallography
chemistry
Proton NMR
Inclusion (mineral)
Food Science
- Language
- ISSN
- 1573-1111
0923-0750
The inclusion complexes of β-CD and parecoxib [PRB] in aqueous solution were investigated using 1H NMR spectroscopic study revealed the existence of four different equilibria for 1:1 inclusion complexes in which both the aromatic rings of the guest are tightly held by the host cavity. The NMR spectra of the PRB studied in the presence of β-CD are fully assigned and interpreted by means of COSY spectrum for the unambiguous assignment of guest aromatic ring protons. The parallel interpretation of β-CD chemical shift changes and dipolar contacts, with the aid of 2D ROESY, allows the mode of binding to be established for four possible structures of 1:1 PRB-β-CD inclusion complexes.