文献类型：期刊文献

英文题名：Analysis of the dissolution behavior and solubility of Rotigotine form II in different mono-solvents

作者：Yi, Dongxu[1];Dong, Yuhang[1];Wang, Qinglin[1];Wu, Juan[1];Qi, Minghui[1,2];Ren, Guobin[1,2]

机构：[1]East China Univ Sci & Technol, Shanghai Frontiers Sci Ctr Optogenet Tech Cell Met, Engn Res Ctr Pharmaceut Proc Chem, Lab Pharmaceut Crystal Engn & Technol,Minist Educ, 130 Meilong Rd, Shanghai 200237, Peoples R China;[2]East China Univ Sci & Technol, State Key Lab Bioreactor Engn, 130 Meilong Rd, Shanghai 200237, Peoples R China

年份：2023

卷号：377

外文期刊名：JOURNAL OF MOLECULAR LIQUIDS

收录：;EI(收录号：20231013666506);WOS:【SCI-EXPANDED(收录号:WOS:000953563800001)】；

语种：英文

外文关键词：Rotigotine; Hirshfeld surface; Solubility Correlation; Molecular simulation

摘要：The form II of Rotigotine (RTG), a dopamine agonist used to treat Parkinson's disease and Wills-Ekbom disease, is a stable crystal that is suitable for industrial production. In our study, we measured the solu-bility of RTG in ten solvents, including alcohols and esters, using UV spectrophotometry at temperatures ranging from 278.15 to 313.15 K and atmospheric pressure. Our results showed an increasing trend in solubility with temperature and an increase in carbon chain length of the solvents, except for 2-propanol and isopropyl acetate. By fitting six thermodynamic models to the solubility data, we found strong correlation. Simulation calculations indicated that H-H and C-H bonds are dominant among RTG molecules, and the solubility of RTG has a positive trend with the increase in viscosity and carbon chain length of the solvents.(c) 2023 Elsevier B.V. All rights reserved.