Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

Effect of Solvent Properties and Composition on the Solubility of Ganciclovir Form I

Wu, Yuefang, Wu, Jiaqin, Wang, Jiachao, Gao, Jiangwei
J. Chem. Eng. Data 2019, 64, 4, 1501-1507
ABSTRACT
Characterization of physical properties of polymorphs in pharmaceuticals is a very important aspect of drug development and manufacturing. This work is to improve the solubility and calculate dissolution thermodynamics of ganciclovir form I. Isothermal saturation method was applied to measure the solubility values of ganciclovir form I in some pure and mixed solvents at temperatures ranging from 278.15 to 318.15 K at atmospheric pressure. The solubility obtained a maximum value in pure 1-butanol and a minimum data in neat toluene. The obtained solubility data of ganciclovir form I in pure solvents were correlated with the modified Apelblat equation, h equation and NRTL model. Meanwhile, the Jouyban-Acree model was applied to simulate ganciclovir form I solubility in binary mixture compositions at various temperatures. The maximum value of relative average deviation (RAD) was 3.04%, which indicates the experimental data was consistent well with calculated one. Apparent thermodynamic analysis indicated that the mixing process in pure solvent is a spontaneous and favorable process. Understanding some physical properties and thermodynamic properties of ganciclovir form I in different solvents is an important aspect of drug development.
Compounds
# Formula Name
1 C9H13N5O4 9-[(1,3-dihydroxy-2-propoxy)methyl] guanine
2 CH4O methanol
3 C2H6O ethanol
4 C3H8O propan-1-ol
5 C3H8O propan-2-ol
6 C2H3N acetonitrile
7 C4H10O butan-1-ol
8 C3H6O acetone
9 C4H8O2 ethyl acetate
10 C7H8 toluene
Datasets
The table above is generated from the ThermoML associated json file (link above). POMD and RXND refer to PureOrMixture and Reaction Datasets. The compound numbers are included in properties, variables, and phases, if specificied; the numbers refer to the table of compounds on the left.
Type Compound-# Property Variable Constraint Phase Method #Points
  • POMD
  • 1
  • 2
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal 1 - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 3
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal 1 - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 4
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal 1 - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 5
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal 1 - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 7
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal 1 - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 6
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal 1 - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 8
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal 1 - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 9
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal 1 - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 10
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal 1 - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 6
  • 7
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mass fraction - 6; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal 1 - 1
  • Chromatography
  • 99