The dehydration behavior and non-isothermal dehydration kinetics of donepezil hydrochloride monohydrate (Form I)

doi:10.1007/s11705-013-1352-3

Front Chem Sci Eng

2014, Vol. 8

Issue (1) : 55-63 https://doi.org/10.1007/s11705-013-1352-3

RESEARCH ARTICLE

The dehydration behavior and non-isothermal dehydration kinetics of donepezil hydrochloride monohydrate (Form I)

Tiantian LIU¹, Yuanyuan RAN¹, Bochao WANG¹, Weibing DONG², Songgu WU¹, Junbo GONG¹(

)

1. The National Engineering Research Center of Industrial Crystallization Technology, School of Chemical Engineering and Technology, Tianjin University, Tianjin 300072, China; 2. Tianjin Key Laboratory for Modern Drug Delivery and High Efficiency, Tianjin University, Tianjin 300072, China

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Abstract

Powders of donepezil hydrochloride monohydrate (Form I) underwent isomorphic dehydration, losing 3% w/w water between 90% and 10% relative humidity (RH) without changing its powder X-ray pattern. Below 10% RH, additional dehydration occurred in conjunction with a reversible phase transition between the monohydrate state and a dehydrated state, with a 4.0% w/w loss to 0% RH. A combination of methods was used to understand the structural changes occurring during the desolvation process, including dynamic vapor sorption measurements, thermal analysis and powder X-ray diffraction. Form I showed the characteristics of the channel hydrate, whose non-isothermal dehydration behavior proceeds in two steps: (1) the loss of non-crystalline water adsorbed on the surface, and (2) the loss of one crystalline water in the channel. Dehydrated Form I is structurally similar to the monohydrate Form I. According to the heat of fusion and the crystal density criteria, the two crystal forms belonged to the univariant system, and the anhydrate (Form III) is stable. The dehydration kinetics was achieved from the TG-DTG curves by both the Achar method and the Coats-Redfern method with 15 frequently cited basic kinetic models. The dynamic dehydration processes for steps 1 and 2 were best expressed by the Zhuralev-Lesokin-Tempelman equation, suggesting a three-dimensional diffusion-controlled mechanism.

Keywords dehydration thermal analysis transformation dehydration kinetics

Corresponding Author(s): GONG Junbo,Email:junbo_gong@tju.edu.cn

Issue Date: 05 March 2014

Cite this article:

Bochao WANG,Weibing DONG,Songgu WU, et al. The dehydration behavior and non-isothermal dehydration kinetics of donepezil hydrochloride monohydrate (Form I)[J]. Front Chem Sci Eng, 2014, 8(1): 55-63.

URL:

https://academic.hep.com.cn/fcse/EN/10.1007/s11705-013-1352-3
https://academic.hep.com.cn/fcse/EN/Y2014/V8/I1/55

Fig.1 Chemical structure of donepezil hydrochloride (DHCl)

Tab.1 Thermal analysis kinetic functions cited frequently

Fig.2 DVS isotherms of Form I (a) and Form III (b) at 25°C using 10% RH steps

Fig.3 Comparison of an experimental PXRD patterns for Form I, dehydrated Form I and Form III at 298 K

Fig.4 (a) DVS isotherm for Form I at 45°C, obtained using 10% RH steps (with a 5% RH step at low humidity). The sorption and desorption cycles are super-imposable above 10% RH; below this level, deviations are observed. (b) DVS isotherm at 45°C obtained using 1% RH steps, showing hysteresis effects

Fig.5 TG-DTG spectrum for the dehydration of Form I DHCl

Tab.2 Kinetic parameters for Form I DHCl dehydration process

Fig.6 Non-isothermal TG curves for Z-L-T mechanism: (a) Achar method, (b) C-R method

Fig.7 The KCEs of the dehydration process for Form I DHCl

Tab.3 Kinetic compensation parameters for dehydration for Form I DHCl

Fig.8 DSC curves of Form I(a) and Form III(b) at a heating rate of 5°C/min

Tab.4 Density of Form I & III DHCl

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