The Structure Determination of Tegoprazan((S)-4-((5,7-difluorochroman-4-yl)oxy)-N,N,2-trimethyl-1H-benzo[d]imidazole-6-formamide) Polymorphs A and B by Laboratory X-Ray Powder Diffraction

Tegoprazan is a potassium ion-competitive acid blocker (P-CAB) and novel inhibitor of gastric acid secretion. The crystal is available in two polymorphs, A and B, but their crystal structures have not yet been reported. Liquid and solid-state NMR were used to investigate the tautomeric state, which was found to be identical in both phases. Using these tautomers, the crystal structures of both polymorphs were determined from the X-ray diffraction data obtained with a laboratory powder X-ray diffractometer, employing simulated annealing and Rietveld refinement. It was found that both phases crystallized in the monoclinic space group P21, Z = 4, with the asymmetric unit containing two symmetrically independent molecules.