A QUANTUM-CHEMICAL STUDY OF LEVCROMAKALIM

The conformations of the potassium channel opener levcromakalim are an alyzed with the aid of quantum chemical calculations in order to deter mine the energetically most favourable structures. The influence of in tramolecular hydrogen bonding on the conformations and on the rotation al potential of the molecule is investigated. The structures of differ ent conformationally restricted analogs are compared with the energeti cally accessible conformational space of levcromakalim with emphasis o n similarities in molecular shape.