Pharmaceutical drug development programs place heavy emphasis on active pharmaceutical ingredient form selection, which can have a profound impact on both drug substance and drug product performance.  Two case studies highlighting research efforts by undergraduate students will be presented. Brexpiprazole is a small molecule that crystallizes in three polymorphic modifications (Forms I, II and III), two methanol solvates, a toluene hemi-solvate and a dihydrate. Thermal analysis and solvent-mediated conversion experiments highlighted the monotropic relationships for the polymorph pairs I – II, I – III and II – III with a relative thermal stability order of I &gt; III &gt; II. In a second case study, a comparison of the crystal packing of brexpiprazole polymorphs, solvates and hydrates to those of structurally related molecules, aripiprazole and dehydro-aripiprazole, will be shown.

Case studies in solid-state chemistry from undergraduate students in the pharmaceutical industry

255th National Meeting (2018)

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