Work

Solid-State NMR Studies of Form I of Atorvastatin Calcium

Year: 2012

Type: article

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).

Source: The Journal of Physical Chemistry B

DOI: 10.1021/jp212074a

Authors: Wei David Wang, Xudong Gao, Mark Strohmeier, Wei Wang, Shi Bai, Cecil Dybowski

Institutions: State Key Laboratory of Applied Organic Chemistry, Lanzhou University, GlaxoSmithKline (United States), University of Delaware

Language: English

Topic: Advanced NMR Techniques and Applications

Subfield: Spectroscopy

Field: Chemistry

Domain: Physical Sciences

Open Access status: green

Funders: Lanzhou University, National Natural Science Foundation of China, Division of Chemistry

OpenAlex ID: W2317034418

FWCI: 0.847

Cites: 46

Cited by: 39

Related to: 10