Solid-state NMR studies of form I of atorvastatin calcium

The Journal of Physical Chemistry. B
Wei David WangCecil Dybowski

Abstract

Solid-state (13)C, (19)F, and (15)N magic angle spinning NMR studies of Form I of atorvastatin calcium are reported, including chemical shift tensors of all resolvable carbon sites and fluorine sites. The complete (13)C and (19)F chemical shift assignments are given based on an extensive analysis of (13)C-(1)H HETCOR and (13)C-(19)F HETCOR results. The solid-state NMR data indicate that the asymmetric unit of this material contains two atorvastatin molecules. A possible structure of Form I of atorvastatin calcium (ATC-I), derived from solid-state NMR data and density functional theory calculations of various structures, is proposed for this important active pharmaceutical ingredient (API).

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Citations

Nov 1, 2013·Journal of Pharmaceutical and Biomedical Analysis·Katarzyna Paradowska, Iwona Wawer
Oct 26, 2018·Journal of Materials Science. Materials in Medicine·Guido A Zapata-CatzinJuan V Cauich-Rodríguez
Feb 6, 2019·Physical Chemistry Chemical Physics : PCCP·Sean T HolmesShi Bai
Feb 17, 2017·The Journal of Chemical Physics·Sean T HolmesCecil Dybowski
Apr 8, 2020·European Journal of Pharmaceutical Sciences : Official Journal of the European Federation for Pharmaceutical Sciences·Chaima TizaouiIvo B Rietveld
Aug 19, 2014·The Journal of Physical Chemistry. B·Frederick G VogtRoyston C B Copley
Dec 2, 2020·The Journal of Physical Chemistry. a·Sean T HolmesRobert W Schurko
Apr 3, 2020·The Journal of Physical Chemistry. a·Sean T HolmesRobbie James Iuliucci

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