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ISSN electronic edition: 1336-9075
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Study of 1,4-dihydropyridine type Ca2+ blockers by the methods of quantum-chemistry

L. T. Nagy and M. Jergelová

Centre for Chemical Research, Slovak Academy of Sciences, CS-842 38 Bratislava


Abstract: Rotation barrier for the rotation around the exocyclic С—С bond be­tween aryl and 1,4-dihydropyridine ring in differently modified derivatives of nifedipine was calculated. The molecules investigated differ from each other in position and character of the substituent on the aromatic ring. A relatively high rotation barrier preventing the free rotation of aryl around the exocyclic С—С bond was found for all the derivatives with substituents in ortho, meta, and para positions. In active substances the rotation barrier is by one order higher than in inactive ones.

Full paper in Portable Document Format: 432a279.pdf


Chemical Papers 43 (2) 279–284 (1989)

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