[1H and 13C NMR investigation of nifedipine].
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.
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D002247:Carbon Isotopes; D006859:Hydrogen; D009682:Magnetic Resonance Spectroscopy / Q000379:methods; D008958:Models, Molecular; D008968:Molecular Conformation; D009543:Nifedipine / Q000737:chemistry*
D002247:Carbon Isotopes; D006859:Hydrogen; D009543:Nifedipine
A nifedipin 1H és 13C NMR vizsgálata.