title: Partial solubility parameters and solvatochromic parameters for predicting the solubility of single and multiple drugs in individual solvents.
abstract: A modification of the extended Hansen method is used for estimating the solubility of sulfadiazine and other organic drug molecules in a number of individual solvents ranging from nonpolar to highly polar. The equations obtained for each drug involve the partial solubility parameters of the solvents and allow the prediction of solubility of these drugs in a new solvent. Furthermore, a number of drugs (e.g., sulfadiazine, sulfamethoxypyridazine, naphthalene, and some benzoic acid derivatives) are combined in a single expression including the ideal solubility of the drugs and the partial solubility parameters of the solvents. The equation fits the solubilities of these drugs in a wide variety of solvents and may be used to predict the solubility of other sulfonamides and benzoic acid derivatives in semipolar and highly polar solvents. The solvatochromic parameter approach is also used in models for predicting the solubility of single drugs in individual solvents. It was tested with multiple solutes as was the partial solubility parameter approach. However, the latter approach is superior; the parameters of the solubility parameter method are all statistically significant for drugs tested individually or together in a single equation, a condition that is not obtained with the solvatochromic model.
authors.affiliation: Department of Farmacia y Tecnología Farmaceutica, University of Alcalá de Henares, Madrid, Spain.
authors.forename: P
authors.initials: P
authors.lastname: Bustamante
authors.forename: A
authors.initials: A
authors.lastname: Martin
authors.forename: M A
authors.initials: MA
authors.lastname: Gonzalez-Guisandez
mesh_terms: D001565:Benzoates / Q000737:chemistry; D019817:Benzoic Acid; D002626:Chemistry, Pharmaceutical / Q000379:methods*; D008956:Models, Chemical; D009281:Naphthalenes / Q000737:chemistry; D012995:Solubility; D012997:Solvents / Q000737:chemistry*; D013411:Sulfadiazine / Q000737:chemistry; D013421:Sulfamethoxypyridazine / Q000737:chemistry
chemical_list: D001565:Benzoates; D009281:Naphthalenes; D012997:Solvents; D013411:Sulfadiazine; C031721:naphthalene; D019817:Benzoic Acid; D013421:Sulfamethoxypyridazine