Compound Structure

Gemcitabine

CAS Number: 95058-81-4

Molecular Mass: 263.2 g/mol

Formula: C9H11F2N3O4

Smiles: O=C1N=C(N)C=CN1C2OC(CO)C(O)C2(F)F

Synonymes: Gemcitabine, Cytidine, 2′-deoxy-2′,2′-difluoro-2′-Deoxy-2′,2′-difluorocytidine, LY 188011, DDFC,2′,2′-Difluoro-2′-deoxycytidine, 2′,2′-Difluorodeoxycytidine, DFdC, NSC 613327, DFdCyd, Gamcitabine, Folfugem, Gemcel, GemLip, Zefei, FF 10832

Bioactivity: Gemcitabine is a chemotherapeutic agent used as monotherapy or in combination with other anticancer agents.

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
Water 278.15 Form A 4.851? [3]
Water 283.15 Form A 6.679? [3]
Water 288.15 Form A 9.703? [3]
Water 293.15 Form A 13.384? [3]
Water 298.15 Form A 17.967? [3]
Water 303.15 Form A 23.662? [3]
Water 308.15 Form A 31.761? [3]
Water 313.15 Form A 41.865? [3]
Water 318.15 Form A 53.584? [3]
Methanol 278.15 Form A 60.092? [3]
Methanol 283.15 Form A 65.854? [3]
Methanol 288.15 Form A 71.785? [3]
Methanol 293.15 Form A 77.658? [3]
Methanol 298.15 Form A 84.387? [3]
Methanol 303.15 Form A 91.17? [3]
Methanol 308.15 Form A 98.984? [3]
Methanol 313.15 Form A 107.813? [3]
Methanol 318.15 Form A 118.035? [3]
Ethanol 278.15 Form A 17.522? [3]
Ethanol 283.15 Form A 19.606? [3]
Ethanol 288.15 Form A 22.144? [3]
Ethanol 293.15 Form A 25.082? [3]
Ethanol 298.15 Form A 28.514? [3]
Ethanol 303.15 Form A 32.514? [3]
Ethanol 308.15 Form A 36.769? [3]
Ethanol 313.15 Form A 41.33? [3]
Ethanol 318.15 Form A 46.145? [3]
1-Propanol 278.15 Form A 5.82? [3]
1-Propanol 283.15 Form A 6.538? [3]
1-Propanol 288.15 Form A 7.295? [3]
1-Propanol 293.15 Form A 8.172? [3]
1-Propanol 298.15 Form A 9.154? [3]
1-Propanol 303.15 Form A 10.272? [3]
1-Propanol 308.15 Form A 11.461? [3]
1-Propanol 313.15 Form A 12.817? [3]
1-Propanol 318.15 Form A 14.373? [3]
Isopropanol 278.15 Form A 6.565? [3]
Isopropanol 283.15 Form A 7.282? [3]
Isopropanol 288.15 Form A 8.127? [3]
Isopropanol 293.15 Form A 8.98? [3]
Isopropanol 298.15 Form A 10.033? [3]
Isopropanol 303.15 Form A 11.176? [3]
Isopropanol 308.15 Form A 12.419? [3]
Isopropanol 313.15 Form A 13.767? [3]
Isopropanol 318.15 Form A 15.407? [3]
Ethyl acetate 278.15 Form A 0.022? [3]
Ethyl acetate 283.15 Form A 0.029? [3]
Ethyl acetate 288.15 Form A 0.038? [3]
Ethyl acetate 293.15 Form A 0.048? [3]
Ethyl acetate 298.15 Form A 0.058? [3]
Ethyl acetate 303.15 Form A 0.071? [3]
Ethyl acetate 308.15 Form A 0.084? [3]
Ethyl acetate 313.15 Form A 0.098? [3]
Ethyl acetate 318.15 Form A 0.114? [3]
Carbon dioxide 308.0 - 0.02241 [4]

Thermodynamic parameters of solution

Solvent Temperature [K] Crystal form ΔHsol [kJ/mol] ΔSsol [J/mol/K] ΔGsol [kJ/mol] Reference
Water 298.15 Form A 45.35 96.5 16.63 [3]
Methanol 298.15 Form A 14.37 13.06 10.49 [3]
Ethanol 298.15 Form A 19.51 23.77 12.44 [3]
1-Propanol 298.15 Form A 17.47 9.32 14.69 [3]
Isopropanol 298.15 Form A 16.64 7.52 14.4 [3]
Ethyl acetate 298.15 Form A 30.99 14.39 26.71 [3]