A Quantum Chemical Study of Levcromakalim

Abstract

The conformations of the potassium channel opener levcromakalim are analyzed with the aid of quantum chemical calculations in order to determine the energetically most favourable structures. The in¯uence of intramolecular hydrogen bonding on the conformations and on the rotational potential of the molecule is investigated. The structures of different conformationally restricted analogs are compared with the energetically accessible conformational space of levcromakalim with emphasis on similarities in molecular shape.