NMR crystallography of ezetimibe co-crystals.
Solid State Nucl Magn Reson
; 65: 29-40, 2015 Feb.
Article
em En
| MEDLINE
| ID: mdl-25541425
ABSTRACT
An efficient, simplified protocol for solvent-drop assisted co-crystal preparation of ezetimibe (a drug for the treatment of primary hypercholesterolemia) with both imidazole and l-proline has been derived. The structures of the white powders were successfully solved via "NMR crystallography" combining solid-state NMR, powder X-ray diffraction and DFT chemical shift computations. Detailed insights into the likely crystallization mechanism were obtained from competition experiments, where efficient co-crystallization was feasible using ezetimibe monohydrate as precursor indicating that the crystal water acts as "molecular catalyst". It was also found that co-crystallization of imidazole is favored over l-proline, thus suggesting a clear preference of neutral hydrogen bonds compared to charge-assisted motifs.
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Texto completo:
1
Coleções:
01-internacional
Base de dados:
MEDLINE
Assunto principal:
Ezetimiba
Tipo de estudo:
Guideline
Idioma:
En
Ano de publicação:
2015
Tipo de documento:
Article