Isolation, synthesis and identification of degraded impurities in Letermovir.

Letermovir is a cytomegalovirus inhibitor for cytomegalovirus infection a hematopoietic-cell transplantation. In the degradation test of Letermovir, five new impurities were detected at levels of ND ∼ 2.21 % (by oxide, thermal or photolytic). These impurities were synthesized directly, characterized and identified by HRMS NMR spectra and X-ray crystallography. Then co-injected with commercial products to confirm their retention times in HPLC. The possible formation pathways and synthetic methods of these impurities were discussed in details. Furthermore, the toxicological properties of impurities were evaluated by ACD/Percepta 14.52.0 (Build 3525) software. • Five new impurities were characterized and identified. • The possible formation pathways and synthetic methods of these impurities were discussed. • X-ray crystal structure of Imp P salt with diisopropylamine was obtained. [ABSTRACT FROM AUTHOR]