Preparation and crystal structure of sorafenib sulfate monohydrate

Abstract

Salt formation is the most commonly method for increasing the solubility of drug. Sorafenib (Sor), a multikinase inhibitor active in the treatment a board of human cancers, has a very low solubility. In this study, sorafenib sulfate monohydrate (Sor-S) has been prepared for improving its solubility. The simulated powder X-ray diffraction (PXRD) was different from experimental PXRD of free Sor. The crystal structure of Sor-S was characterized. The hydrogen bond system, topology, and the superposition of the molecular conformations of sorafenib in base form and protonated cation in salt form were analyzed. The Hirshfeld surfaces plotted with dnorm was conducted for investigating the hydrogen bonds. Shape index and curvedness maps presented two rings with π π interplanar stacking. The tabletability was predicted using an energy framework.