Carbamazepine
CAS Number: 298-46-4
Molecular Mass: 236.27 g/mol
Formula: C15H12N2O
Smiles: O=C(N)N1C=2C=CC=CC2C=CC=3C=CC=CC31
Synonymes: Carbamazepine, 5-Carbamoyl-5H-dibenz[b,f]azepine, 5H-Dibenz[b,f]azepine-5-carboxamide, Geigy 32883, Tegretol, Finlepsin
Bioactivity: An anticonvulsant medication used in the treatment of epilepsy and neuropathic pain.
Solubility in Different Solvents
| Solvent | Temperature [K] | Crystal form | Solubility [mg/mL] | Reference |
|---|---|---|---|---|
| Water | 298.2 | Glassy | 0.19 | [10] |
| Water | 303.2 | Glassy | 0.24 | [10] |
| Water | 308.2 | Glassy | 0.26 | [10] |
| Water | 313.2 | Glassy | 0.28 | [10] |
| Ethanol | 298.2 | Glassy | 25.52 | [10] |
| Ethanol | 303.2 | Glassy | 29.3 | [10] |
| Ethanol | 308.2 | Glassy | 30.24 | [10] |
| Ethanol | 313.2 | Glassy | 31.66 | [10] |
Thermodynamic parameters of solution
| Solvent | Temperature [K] | Crystal form | ΔHsol [kJ/mol] | ΔSsol [J/mol/K] | ΔGsol [kJ/mol] | Reference |
|---|---|---|---|---|---|---|
| Methanol | 298.0 | Form I | 14.1 | - | - | [8] |
| Dimethylformamide | 298.0 | Form I | 4.5 | - | - | [7] |
| Isopropanol | 298.0 | Form I | 27.9 | - | - | [7] |
| Methanol | 298.0 | Form III | 17.1 | - | - | [7] |
| Dimethylformamide | 298.0 | Form III | 7.43 | - | - | [9] |
| Isopropanol | 298.0 | Form III | 31.6 | - | - | [7] |
| Dimethylformamide | 298.0 | Form III | 7.9 | - | - | [7] |
| Water | 305.7 | Glassy | 20.4 | -23.8 | 27.7 | [10] |
| Ethanol | 305.7 | Glassy | 10.6 | -6.4 | 12.6 | [10] |
Phase transitions
| Transition type | Temperature [K] | Crystal form | ΔH [kJ/mol] | ΔS [J/mol/K] | ΔG [kJ/mol] | Reference |
|---|---|---|---|---|---|---|
| melting | 462.8 | Form I | - | - | - | [7] |
| melting | 446.6 | Form III | - | - | - | [7] |
| crystal-crystal | 425.0 | Form III | - | - | - | [7] |