Crystal structure analysis and fragmentation profile of lorcaserin hydrochloride hemihydrate

Abstract

Lorcaserin, a 2,3,4,5-tetrahydro-3-benzazepine possessing a methyl and chloro groups in C-4 and C-9, respectively, is a drug currently used to treat obesity. Considering the role of the crystalline state to the understanding of the drug properties, allied to inexistence of solid state structural data in the worldwide accessible literature and database such as Crystallographic Cambridge Data Centre (CCDC), here we report the crystal structure of lorcaserin hydrochloride hemihydrate, inspecting in full detail its intra and intermolecular features for the first time, together with NMR data and fragmentation profile by ESI(+)-MS/MS.