Simvastatin: structure solution of two new low-temperature phases from synchrotron powder diffraction and ss-NMR

0343202 - ÚMCH 2011 RIV US eng J - Journal Article
Hušák, M. - Kratochvíl, B. - Jegorov, A. - Brus, Jiří - Maixner, J. - Rohlíček, J.
Simvastatin: structure solution of two new low-temperature phases from synchrotron powder diffraction and ss-NMR.
Structural Chemistry. Roč. 21, č. 3 (2010), s. 511-518. ISSN 1040-0400. E-ISSN 1572-9001
R&D Projects: GA AV ČR IAA400500602; GA MŠMT 2B08021
Institutional research plan: CEZ:AV0Z40500505
Keywords : crystal structure * simvastatin * powder diffraction
Subject RIV: CD - Macromolecular Chemistry
Impact factor: 1.727, year: 2010

Simvastatin is an active pharmaceutical ingredient generally used for the treatment of hypercholesterolemia. In addition to the already known room-temperature structure of simvastatin, two new low-temperature polymorphs were found with the phase transition at 272 and 232 K. The main structural differences between these three polymorphs consist in the side-chains conformation. The observed phase transformations are fully reversible. The structures of the polymorphs were studied by the powder diffraction based on synchrotron radiation as well as by solid-state NMR spectroscopy.
Permanent Link: http://hdl.handle.net/11104/0005900