Theoretical and Experimental Investigations on the Morphology of Pharmaceutical Crystals

We investigated the morphologies of three polymorphs of 1,3‐di(cyclopropylmethyl)‐8‐aminoxanthine, a compound of pharmaceutical importance. We compared the experimental morphologies with those predicted by theoretical methods. We also predicted the elastic constants of the three polymorphs. These re...

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Veröffentlicht in:	Journal of pharmaceutical sciences 2002-07, Vol.91 (7), p.1652-1658
Hauptverfasser:	Coombes, David S., Catlow, C.Richard A., Gale, Julian D., Hardy, Martin J., Saunders, Martin R.
Format:	Artikel
Sprache:	eng
Schlagworte:	attachment energy BFDH Biological and medical sciences Computer Simulation Crystallization General pharmacology Medical sciences Models, Chemical Models, Theoretical morphology Pharmacology. Drug treatments Physicochemical properties. Structure-activity relationships polymorphism Skin, nail, hair, dermoskeleton surface energy Xanthines - chemistry
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Zusammenfassung:	We investigated the morphologies of three polymorphs of 1,3‐di(cyclopropylmethyl)‐8‐aminoxanthine, a compound of pharmaceutical importance. We compared the experimental morphologies with those predicted by theoretical methods. We also predicted the elastic constants of the three polymorphs. These results are used to help assess the stabilities of the three polymorphs and compare the abilities of theoretical methods to reproduce experimental morphologies. © 2002 Wiley‐Liss Inc. and the American Pharmaceutical Association J Pharm Sci 91:1652–1658, 2002
ISSN:	0022-3549 1520-6017
DOI:	10.1002/jps.10148