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Color tuning of an active pharmaceutical ingredient through cocrystallization: a case study of a metronidazole–pyrogallol cocrystal

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Abstract

The last two decades have witnessed a rising interest in modulating the physicochemical properties of active pharmaceutical ingredients (APIs) through cocrystallization. The present study reports a new cocrystal of antimicrobial drug metronidazole (MNZ) using pyrogallol (PYR) as a cocrystal former, namely the MNZPYR cocrystal. The crystal structure of the MNZPYR cocrystal is studied by means of single-crystal X-ray diffraction, infrared spectroscopy, thermal analysis, and density functional theory calculations. The MNZPYR cocrystal shows an increased dissolution rate compared to MNZ due to the high energy conformer of PYR in the crystal lattice of the cocrystal. The formation of the MNZPYR cocrystal leads to a color shift from white (raw MNZ and PYR) to yellow, which is characterized by UV-vis spectroscopy and interpreted theoretically by means of time-dependent density functional theory calculations. The results suggest that the cocrystal strategy may be used for color tuning of APIs, offering opportunities for formulation development.

Graphical abstract: Color tuning of an active pharmaceutical ingredient through cocrystallization: a case study of a metronidazole–pyrogallol cocrystal

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Article information


Submitted
31 Oct 2019
Accepted
04 Jan 2020
First published
05 Feb 2020

CrystEngComm, 2020, Advance Article
Article type
Paper

Color tuning of an active pharmaceutical ingredient through cocrystallization: a case study of a metronidazole–pyrogallol cocrystal

K. Zheng, S. Gao, M. Chen, A. Li, W. Wu, S. Qian and Q. Pang, CrystEngComm, 2020, Advance Article , DOI: 10.1039/C9CE01726G

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