Autor(es):
Mota, Fátima 
; Queimada, António ; Pinho, Simão ; Macedo, Eugénia A.
Data: 2008
Identificador Persistente: http://hdl.handle.net/10198/2859
Origem: Biblioteca Digital do IPB
Assunto(s): Pharmaceutical compounds; Solubility; Modelling
Descrição
During the search for novel or improved therapies, new drugs are proposed. Solubility of drug-candidates is important both for drug production and its therapeutic use. Many separation processes in the pharmaceutical industry are based on the solubilities in different solvents. Solvation plays an important role in the organism in each stage of drug transport and delivery. Properties like lipophilicity, hydrophilicity, the ability to establish hydrogen bonds and other interactions of the molecules with the surrounding media play an important role in the solvation process. Although some predictive thermodynamic tools can be used to determine drug solubility, the availability of experimental data is still fundamental for an appropriate model development and evaluation.
In this work, solubilities of some drugs, such as paracetamol, budesonide, furosemide and allopurinol, were measured in the temperature range between 25 °C and 42 °C, in pure solvents (water, ethanol, acetone, n-hexane, ethyl acetate and carbon tetrachloride). The Non-random Two-Liquid Segment Activity Coefficient (NRTL-SAC) equation (Chen and Song 2004), one of the most successful models for the representation of drug solubility, was used to model the data. The obtained agreement is very satisfactory (root mean square deviation of 0.051).
