title: [1H and 13C NMR investigation of nifedipine].
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.
authors.forename: I
authors.initials: I
authors.lastname: Kövesdi
authors.forename: D R
authors.initials: DR
authors.lastname: Kapillerné
mesh_terms: D002247:Carbon Isotopes; D006859:Hydrogen; D009682:Magnetic Resonance Spectroscopy / Q000379:methods; D008958:Models, Molecular; D008968:Molecular Conformation; D009543:Nifedipine / Q000737:chemistry*
chemical_list: D002247:Carbon Isotopes; D006859:Hydrogen; D009543:Nifedipine
vernacular_title: A nifedipin 1H és 13C NMR vizsgálata.