High-Resolution Solid-State Carbon-13 Nuclear Magnetic Resonance Spectra of Mofebutazone, Phenylbutazone, and Oxyphenbutazone in Relation to X-Ray Crystallographic Data

The solid-state 13C NMR spectra of mofebutazone, phenylbutazone, and oxyphenbutazone monohydrate and anhydrate are presented. The crystal structures of these pyrazolidinedione derivatives, obtained by single-crystal X-ray analysis, were previously reported, revealing distinct differences in crystal...

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Bibliographic Details
Published in:Journal of pharmaceutical sciences 1991-04, Vol.80 (4), p.357-362
Main Authors: Stoltz, M., Oliver, D.W., Wessels, P.L., Chalmers, A.A.
Format: Article
Language:English
Subjects:
Anti-Inflammatory Agents, Non-Steroidal - chemistry
Biological and medical sciences
Bones, joints and connective tissue. Antiinflammatory agents
Carbon Isotopes
Computer Simulation
Magnetic Resonance Spectroscopy - methods
Medical sciences
Models, Molecular
Molecular Conformation
Oxyphenbutazone - chemistry
Pharmacology. Drug treatments
Phenylbutazone - analogs & derivatives
Phenylbutazone - chemistry
X-Ray Diffraction
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Summary:The solid-state 13C NMR spectra of mofebutazone, phenylbutazone, and oxyphenbutazone monohydrate and anhydrate are presented. The crystal structures of these pyrazolidinedione derivatives, obtained by single-crystal X-ray analysis, were previously reported, revealing distinct differences in crystal structure. In this report, the chemical shift values observed for the solid-state 13C spectra are related to the chemical environment of the various carbon atoms and compared with the crystallographic data. Results indicate that solid-state NMR spectroscopy is potentially useful in the study of drugs in the solid state.
ISSN:0022-3549
1520-6017
DOI:10.1002/jps.2600800415