Fast ¹⁹F Magic Angle Spinning NMR Crystallography for Structural Characterization of Fluorine-Containing Pharmaceutical Compounds.

ABSTRACT: Fluorine-containing compounds comprise 20 to 30 percent of all commercial drugs, and the proportion of fluorinated pharmaceuticals is rapidly growing. While magic angle spinning (MAS) NMR spectroscopy is a popular technique for analysis of solid pharmaceutical compounds, fluorine has been underutilized as a structural probe so far. Here, we report a fast (40-60 kHz) MAS ¹⁹F NMR approach for structural characterization of fluorine-containing crystalline pharmaceutical compounds at natural abundance, using the antimalarial fluorine-containing drug mefloquine as an example. We demonstrate the utility of 2D ¹⁹F-¹³C and ¹⁹F-¹⁹F dipolar-coupling-based correlation experiments for ¹⁹F and ¹³C resonance frequency assignmen

SUBMITTER: Guo C 

PROVIDER: S-EPMC10280472 | biostudies-literature | 2021 Jun

REPOSITORIES: biostudies-literature