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Solid-state and solution conformations of methadone hydrochloride and related compounds

✍ Scribed by Susan C. J. Sumner; Charles G. Moreland; F. Ivy Carroll; George A. Brine; Karl G. Boldt

Publisher: John Wiley and Sons
Year: 1989
Tongue: English
Weight: 538 KB
Volume: 27
Category: Article
ISSN: 0749-1581
DOI: 10.1002/mrc.1260270403

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✦ Synopsis

Carbon-13 NMR data for salts of methadone and methadol in the solid-state were used to elucidate the crystalline forms of the compounds and to determine if more than one conformer contributes to a single crystalline form. A comparison of I3C NMR isotropic chemical shift data for these compounds in the solid-state and in various solvents was used to correlate solution and solid-state conformations (determined from x-ray data). Threebond 'H-"C and 'H-'H coupling constants, measured by various one-and two-dimensional NMR techniques, were compared with those calculated from x-ray dihedral angle data in order to confirm or dispute the conformational predictions based on chemical shift comparisons.

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