Please use this identifier to cite or link to this item:
http://acervodigital.unesp.br/handle/11449/117061
- Title:
- Elucidating the crystal structure of the antimalarial drug (+/-)-mefloquine hydrochloride: a tetragonal hydrated species
- Universidade Federal do ABC (UFABC)
- Coordenacao Desenvolvimento Tecnol Fundacao Oswal
- Universidade Federal do Pará (UFPA)
- Universidade Estadual Paulista (UNESP)
- 0021-8898
- Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
- Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
- Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)
- Programa Integrado de Apoio ao Ensino, Pesquisa e Extensao (PROINT)
- HPC center at UFABC University
- PPG-Nano-UFABC
- FAPESP: 08/10537-3
- FAPESP: 08/53576-9
- FAPESP: 09/15129-3
- FAPESP: 13/02112-0
- CNPq: 477296/2011-4
- CNPq: 305186/2012-4
- CNPq: 130522/2011-2
- CNPq: 472197/2012-6
- Programa Integrado de Apoio ao Ensino, Pesquisa e Extensao (PROINT)128001208048
- 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
- 1-Aug-2014
- Journal Of Applied Crystallography. Hoboken: Wiley-blackwell, v. 47, p. 1380-1386, 2014.
- 1380-1386
- Wiley-Blackwell
- http://dx.doi.org/10.1107/S160057671401303X
- Acesso restrito
- outro
- http://repositorio.unesp.br/handle/11449/117061
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