Solid-liquid phase equilibrium of clozapine in aqueous binary solvent mixtures

被引：35
作者：
Yu, Shuai [1 ,2 ]
Yuan, Jinting [4 ,5 ]
Cheng, Yan [1 ,2 ]
Du, Shichao [1 ,2 ]
Wang, Yan [1 ,2 ]
Xue, Fumin [1 ,2 ]
Xing, Wenguo [3 ]
机构：
[1] Qilu Univ Technol, Sch Pharmaceut Sci, Shandong Acad Sci, Jinan 250014, Peoples R China
[2] Qilu Univ Technol, Shandong Anal & Test Ctr, Key Lab Appl Technol Sophisticated Analyt Instrum, Shandong Acad Sci, Jinan 250014, Peoples R China
[3] Qingdao Univ Sci & Technol, Chem Technol Res Inst Shandong, Jinan 250014, Peoples R China
[4] Tianjin Univ, Sch Environm Sci & Engn, Tianjin 300072, Peoples R China
[5] Shouguang Fukang Pharmaceut Co Ltd, Tianjin, Peoples R China
来源：
JOURNAL OF MOLECULAR LIQUIDS | 2021年 / 329卷
基金：
中国国家自然科学基金;
关键词：
Clozapine; Solubility; Aqueous binary solvent mixtures; Hansen solubility parameter; ORGANIC-SOLVENTS; SOLUBILITY; WATER; PURE;
D O I：
10.1016/j.molliq.2021.115371
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
The solid-liquid phase equilibrium solubility of clozapine in six of aqueous binary solvent mixtures (i.e., water + methanol, water + ethanol, water + n-propanol, water + acetone, water + N, N-dimethylformamide, and water + tetrahydrofuran) was determined from 278.15 K to 323.15 K at approximately 101.3 kPa with a gravimetric method. The solubility increases with the increase of temperature and the composition of good-solvent in all the selected binary solvent mixture systems. Polarity is an essential factor affecting the solubility of clozapine in mixed solvents. Hansen solubility parameters were used to analyse the solubility behaviour. Four thermody-namic models, including the CNIBS/R-K model, the modified Jouyban-Acreemodel, the NRTL model, and the Wilson model were chosen to fit the experimental solubility data. Relative average deviation, and root mean square deviation were employed to evaluate the fitting degree of each thermodynamic model. NRTL model fits best with the maximum RAD and RMSD value of 0.0177 (water + methanol) and 0.000847 (water + THF), respectively. Solubility data are the basis for calculation of supersolubility and induction time of the crystallization process. The basic solubility data play an important role in the process optimization of clozapine crystallization. (C) 2021 Elsevier B.V. All rights reserved.
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页数：9
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