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[1H and 13C NMR investigation of nifedipine].

作者信息

Kövesdi I, Kapillerné D R

出版信息

Acta Pharm Hung. 1996 Jan;66(1):11-4.

PMID:8714360
Abstract

1H-13C shift-shift correlation based assignment of the 13C and 1H NMR spectra of nifedipin are presented along with some results of MM+ and PM3 conformation analysis. Both computation methods yield asymmetric low energy conformers. MM+ molecular dynamics simulations give similar results. A lower limit to the interconversion rate of the asymmetric low energy conformers is determined using magnetic shielding differences obtained by TNDO/2 calculations.

摘要

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