The modified extended Hansen method to determine partial solubility parameters of drugs containing a single hydrogen bonding group and their sodium derivatives: benzoic acid/Na and ibuprofen/Na

Association of a Weakly Acidic Anti-Inflammatory Drug (Ibuprofen) with a Poly(Amidoamine) Dendrimer as Studied by Molecular Dynamics Simulations

“…Namely, after the NPT MD runs, the density was stabilized at F ) 0.99 ( 0.02 g/cm 3 which compares favorably to a value of 1.06 g/cm 3 , as can be estimated for the amorphous state of ibuprofen, 45,46 whereas calculation of the total Hansen solubility parameter δ based on the cohesive energy density (see, e.g., ref 47 for a more detailed description of the procedure) rendered a value of 9.57 ( 0.46 (cal/cm 3 ) 0.5 , which is within the range of 9.39 to 9.66 (cal/cm 3 ) 0.5 reported for bulk ibuprofen. 48,49 Calculation of the average dipole moment of ibuprofen yielded a value of 1.80 ( 0.02D, which lies within the limits estimated for the more stable ibuprofen conformers. 50 …”

Solubility of Acetaminophen and Ibuprofen in Binary and Ternary Mixtures of Polyethylene Glycol 600, Ethanol and Water

“…28) The maximum solubility of ibuprofen (3.2792 M) in the solvent mixtures studied is observed in PEG 600-ethanol-water (0.5ϩ0.4ϩ0.1 mass frac- There is no published experimental data of drugs in the investigated solvent mixtures. In two papers, the solubilities of acetaminophen in PEG 400-water at 23°C, 24) and also in PEG 400-water and PEG 4000-water at 30°C 29) have been reported.…”

IUPAC-NIST Solubility Data Series. 102. Solubility of Nonsteroidal Anti-inflammatory Drugs (NSAIDs) in Neat Organic Solvents and Organic Solvent Mixtures

“…There has been one study involving the solubility of sodium ibuprofen in organic solvents. Bustamante et al 93 measured the mole-fraction solubility of sodium ibuprofen in 25 different organic solvents, including two saturated hydrocarbons (heptane and cyclohexane), one aromatic hydrocarbon (benzene), one alkyl alkanoate (ethyl ethanoate), one dialkyl ether (1,1′-oxybisethane) and one cyclic ether (1,4-dioxane), two chloroalkanes (trichloromethane and 1,2-dichloroethane) and one chlorinated aromatic hydrocarbon (chlorobenzene), seven alcohols (methanol, ethanol, 1-pentanol, 1-octanol, 1,2-ethanediol, 1,2-propanediol, 1,3-propanediol, 1,4-butanediol, and 1,2,3-propanetriol), one alkanone (propanone) and one aromatic ketone (acetophenone), and five miscellaneous organic solvents (ethanoic acid, propanoic acid, formamide, N-methylformamide, and N,N-dimethylformamide) at 298 K and atmospheric pressure. Results of the experimental measurements were used in conjunction with the modified extended Hansen method to calculate partial solubility parameters of sodium salts of carboxylic acids containing a single hydrogen bonding group (ibuprofen/sodium ibuprofen and benzoic acid/ sodium benzoate).…”

“…There are several published studies 60,65, involving the solubility of ibuprofen in organic solvents. Most notably, Bustamante et al 93 examined the solubility of ibuprofen in two saturated hydrocarbons (heptane and cyclohexane), in one aromatic hydrocarbon (benzene), in one alkyl alkanoate (ethyl ethanoate), in one dialkyl ether (1,1′-oxybisethane) and one cyclic ether (1,4-dioxane), in two chloroalkanes (trichloromethane and 1,2-dichloroethane) and one chlorinated aromatic hydrocarbon (chlorobenzene), in seven alcohols (methanol, ethanol, 1-pentanol, 1-octanol, 1,2-ethanediol, 1,2-propanediol, and 1,2,3-propanetriol), in one alkanone (propanone) and one aromatic ketone (acetophenone), and in 023102-60 W. E. ACREE, JR.…”