Elucidating the crystal structure of the antimalarial drug (+/-)-mefloquine hydrochloride: a tetragonal hydrated species
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Wiley-Blackwell
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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. (C) 2014 International Union of Crystallography
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Journal Of Applied Crystallography. Hoboken: Wiley-blackwell, v. 47, p. 1380-1386, 2014.
