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Experimental investigation of fluconazole: equilibrium solubility and sublimation
The Journal of Chemical Thermodynamics ( IF 2.6 ) Pub Date : 2020-12-01 , DOI: 10.1016/j.jct.2020.106243
Svetlana Blokhina , Marina Ol'khovich , Angelica Sharapova , German Perlovich

Abstract The solubility of the antifungal drug fluconazole in buffer solutions of different acidity (pH 1.2, 2.0 and 7.4), 1-octanol and hexane in the temperature range (293.15–313.15) K is determined by the isothermal saturation method. The solubility of the compound in selected solvents increases as follows: hexane, buffer pH 7.4, buffer pH 2.0, 1- octanol, buffer pH 1.2, and does not exceed 0.2 mol·l−1. The temperature dependence of fluconazole saturated vapor pressure is obtained by the transpiration method. The sublimation enthalpy of the compound equals 131.4 ± 0.9 kJ·mol−1. Based on the HYBOT descriptors, it is shown that it is possible to estimate the sublimation enthalpy of compounds structurally similar to fluconazole.

中文翻译:

氟康唑的实验研究:平衡溶解度和升华

摘要 抗真菌药物氟康唑在不同酸度(pH 1.2、2.0 和 7.4)、1-辛醇和己烷的缓冲溶液中的溶解度在温度范围 (293.15–313.15) K 中通过等温饱和法测定。化合物在选定溶剂中的溶解度如下增加:己烷,缓冲液 pH 7.4,缓冲液 pH 2.0,1-辛醇,缓冲液 pH 1.2,并且不超过 0.2 mol·l-1。氟康唑饱和蒸气压的温度依赖性是通过蒸腾法获得的。该化合物的升华焓等于 131.4 ± 0.9 kJ·mol-1。基于 HYBOT 描述符,表明可以估计结构类似于氟康唑的化合物的升华焓。
更新日期:2020-12-01
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