Elucidating the crystal structure of the antimalarial drug (±)-mefloquine hydrochloride: a tetragonal hydrated species

V. Mendes do Prado, R. Cardoso Seiceira, A. Pitaluga Jr, T. Andrade-Filho, W. Andrade Alves, A. Reily Rocha and F. Furlan Ferreira

Abstract: Albeit widely studied, the structure of the antimalarial drug (±)-mefloquine hydrochloride is still a controversial issue. A combination of X-ray powder diffraction, theoretical calculations and Fourier transform-infrared spectroscopy is used to unambiguously determine the crystal structure of the molecule in its active pharmaceutical ingredient. It is demonstrated that water is incorporated into the structure, leading to a hydrated form and, most importantly, to significant differences in both structure and bonding. Such changes can lead to significant differences in biological activity.

Keywords: hydrated (±)-mefloquine hydrochloride; crystal structure determination; X-ray powder diffraction; Fourier transform-infrared spectroscopy

 

Link para íntegra do artigo: http://onlinelibrary.wiley.com/iucr/10.1107/S160057671401303X