Journal article

The structure of papaverine in solution as determined by H nuclear magnetic relaxation methods

ID Rae, RM Simmonds

Australian Journal of Chemistry | Published : 1987

Abstract

Hydrogen relaxation in the papaverine molecule in CDCl3 solution has been studied so as to derive the conformation about the C1-CH2 bond. This was done for papaverine itself, in which the resonances of H5 and H8 were reassigned on the basis of NOESY spectra, and in the 7-OC2H3 analogue, the spectrum of which confirms the reassignment. The value for the torsional angle C 8a-C1-CH2-C lays between 70 and 92�, in good agreement with those found in crystals of papaverine , its hydrochloride, and the related alkaloid isosevanine (all in the range 68-94�). Conformational energy calculations show a broad energy minimum over the range 60-70�. The 6,7-methylenedioxy analogue of papaverine ha..

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