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.

Solvent	Temperature [K]	Crystal form	Solubility [mg/mL]	Reference
1,4-Dioxane	310.35	-	61.2	[24]
1,4-Dioxane	319.95	-	88.9	[24]
1,4-Dioxane	323.55	-	100.0	[24]
1,4-Dioxane	327.95	-	120.0	[24]
1,4-Dioxane	329.75	-	131.0	[24]
1,4-Dioxane	332.45	-	145.0	[24]
1,4-Dioxane	332.95	-	151.0	[24]
Chloroform	278.15	-	183.8	[480]
Chloroform	288.65	-	198.3	[480]
Chloroform	297.55	-	213.4	[480]
Chloroform	307.15	-	236.6	[480]
Chloroform	318.95	-	267.8	[480]
Chloroform	327.95	-	301.6	[480]
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]
Ethyl acetate	281.35	-	6.693	[480]
Ethyl acetate	298.55	-	10.5	[480]
Ethyl acetate	306.55	-	13.06	[480]
Ethyl acetate	314.05	-	16.1	[480]
Ethyl acetate	326.85	-	22.3	[480]
Ethyl acetate	346.65	-	32.17	[480]
Ethylene Glycol	279.15	-	4.19	[480]
Ethylene Glycol	288.55	-	10.35	[480]
Ethylene Glycol	316.85	-	36.25	[480]
Ethylene Glycol	335.25	-	79.62	[480]
Ethylene Glycol	346.55	-	124.0	[480]
Ethylene Glycol	356.95	-	182.1	[480]
Methyl acetate	281.95	-	15.84	[480]
Methyl acetate	292.35	-	19.96	[480]
Methyl acetate	301.85	-	25.01	[480]
Methyl acetate	311.55	-	31.98	[480]
Toluene	301.85	-	2.2	[24]
Toluene	313.95	-	4.4	[24]
Toluene	319.65	-	6.5	[24]
Toluene	325.35	-	8.6	[24]
Toluene	328.55	-	8.6	[24]
Toluene	332.15	-	11.0	[24]
Toluene	335.35	-	13.0	[24]
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]

Solvent	Temperature [K]	Crystal form	ΔH_sol [kJ/mol]	ΔS_sol [J/mol/K]	ΔG_sol [kJ/mol]	Reference
Dimethylformamide	298.0	Form I	4.5	-	-	[7]
Dimethylformamide	298.0	Form III	7.43	-	-	[9]
Dimethylformamide	298.0	Form III	7.9	-	-	[7]
Ethanol	305.7	Glassy	10.6	-6.4	12.6	[10]
Isopropanol	298.0	Form I	27.9	-	-	[7]
Isopropanol	298.0	Form III	31.6	-	-	[7]
Methanol	298.0	Form I	14.1	-	-	[8]
Methanol	298.0	Form III	17.1	-	-	[7]
Water	305.7	Glassy	20.4	-23.8	27.7	[10]

Transition type	Temperature [K]	Crystal form	ΔH [kJ/mol]	ΔS [J/mol/K]	ΔG [kJ/mol]	Reference
Crystal-Crystal	425.0	Form III / Form I	-	-	-	[7]
Melting	446.6	Form III	-	-	-	[7]
Melting	462.8	Form I	-	-	-	[7]