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Elucidating the crystal structure of the antimalarial drug (±)‐mefloquine hydrochloride: a tetragonal hydrated species
Author(s) -
Mendes do Prado Vânia,
Cardoso Seiceira Rafael,
Pitaluga Jr Altivo,
AndradeFilho Tarciso,
Andrade Alves Wendel,
Reily Rocha Alexandre,
Furlan Ferreira Fabio
Publication year - 2014
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s160057671401303x
Subject(s) - mefloquine , tetragonal crystal system , active ingredient , chemistry , crystal structure , drug , fourier transform infrared spectroscopy , hydrochloride , molecule , infrared spectroscopy , crystallography , plasmodium falciparum , pharmacology , organic chemistry , chemical engineering , malaria , medicine , engineering , immunology
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.