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Updated: Jan 25, 2026

Application and Methodology of the Non-destructive 19F Time-domain NMR Technique to Measure the Content in Fluorine-containing Drug Products
Published on: August 22, 2017
Band-selective excitation NMR spectroscopy and quantitative time-domain analysis using Complete Reduction to
1Chemistry Department, University of Redlands, Redlands, California.
Abstract:
A sensitive quantitative 1 H NMR method for determining distribution or partition coefficients has been developed that is applicable to early drug discovery. After partitioning and equilibration, aliquots from each layer are analyzed using band-selective excitation 1 H NMR spectroscopy in regions that are free of 1-octanol and water solvent signals. Signals are quantitated directly using CRAFT software, and their amplitudes are adjusted to correct for nonuniformity within the excitation band. Using this approach, the distribution coefficients for 20 drugs present at low concentrations were determined giving values that were in excellent agreement with literature values.
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