Solid-state properties of warfarin sodium 2-propanol solvate

Journal of Pharmaceutical Sciences
Agam R ShethDavid J W Grant

Abstract

The goal of the present work was to understand the effect of relative humidity (RH) and temperature on the molecular structure, crystal structure, and physical properties of warfarin sodium 2-propanol solvate (W). After previous determination of the crystal structure of W, which corresponds to a 1:1 2-propanol solvate, the present work shows that W has a critical RH (60% < RH(0) < or = 68%), below which minimal uptake of water occurs, due to surface adsorption, but above which gradual and continuous uptake of water occurs, due to deliquescence. Deliquescence begins at the surface and proceeds inward into the bulk of the crystal. Single crystal X-ray diffractometry indicates no change in the crystal and molecular structure of W during the initial stages of deliquescence. Studies of the unit cell and volume computations of W show that water can neither find space to enter the crystal lattice, nor can replace 2-propanol. Thus, water does not exchange with 2-propanol within the lattice, contrary to previous reports. Storage of single crystals of W at 120 degrees C for 23 h produces shrinkage cracks along the needle (b) axis, which are interpreted as a reduction in d-spacing of the 00l planes. Thus, under thermal stress, W crystals ...Continue Reading

References

Jun 1, 1980·Journal of Pharmaceutical Sciences·J T CarstensenG Zografi
Jan 1, 1995·Acta Crystallographica. Section A, Foundations of Crystallography·R H Blessing
Nov 17, 1999·Journal of Pharmaceutical Sciences·L R ChenD J Grant
Dec 14, 2001·AAPS PharmSci·D Gao, M B Maurin
Jan 1, 1996·Journal of Research of the National Institute of Standards and Technology·David G Watson

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Citations

Mar 31, 2010·Journal of Computer-aided Molecular Design·William R Porter
Oct 27, 2015·Journal of Pharmaceutical Sciences·Agnes NguyenphoMansoor A Khan
Apr 6, 2017·CPT: Pharmacometrics & Systems Pharmacology·X ZhangR Lionberger
Feb 18, 2018·Acta Pharmaceutica : a Quarterly Journal of Croatian Pharmaceutical Society and Slovenian Pharmaceutical Society, Dealing with All Branches of Pharmacy and Allied Sciences·Ziyaur RahmanMansoor A Khan

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