Structural identification and metabolic profiling of the new psychoactive substance 2-fluoro-2-oxo-PCPr using NMR and LC-QTOF-MS.
Forensic science international November 10, 2025 Seonghoon Yeon, Jisu Park, Byungseok Cho et al.
A new fluorinated ketamine analog, 2-fluoro-2-oxo-PCPr, was identified in a 2025 drug seizure. Its chemical structure was determined using NMR, GC-MS, and LC-QTOF-MS. Duplicated NMR signals revealed two interconverting rotameric forms in an approximately 2:1 equilibrium, confirmed by GIAO-based DFT calculations. Metabolite profiling of abusers' urine identified pathways including glucuronidation, desaturation, hydrogenation, hydroxylation, carboxylation, and N-depropylation. The primary metabolite, nor-2-fluoro-2-oxo-PCPr, was detected in both urine and hair, suggesting it may serve as a long-term biomarker. These findings provide key data for detecting and monitoring this emerging psychoactive substance in forensic and clinical toxicology.