Chemical substance record

Carbamazepine

298-46-4C₁₅H₁₂N₂O236.274 g/mol

Organic/Inorganic Small MoleculeChEBI source record

A dibenzoazepine that is 5H-dibenzo[b,f]azepine carrying a carbamoyl substituent at the azepine nitrogen, used as an anticonvulsant. — ChEBI

Safety references

Safety documents & references

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Identity & molecular properties

Source-linked values

CAS number	298-46-4	ChEBI ↗
Molecular formula	C₁₅H₁₂N₂O	ChEBI ↗
Molar mass	236.274 g/mol	ChEBI ↗
Monoisotopic mass	236.09496 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:3387	ChEBI ↗

Cross-source molecular data

PubChem

Molar mass	236.27 g/mol	PubChem ↗
Exact mass	236.094963011 Da	PubChem ↗
Computed XLogP	2.5	PubChem ↗
Topological polar surface area (Å²)	46.3	PubChem ↗
H-bond donors	1	PubChem ↗
H-bond acceptors	1	PubChem ↗
Rotatable bonds	0	PubChem ↗

PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.

Names & structural identifiers

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Source preferred name

carbamazepine

IUPAC name

5H-dibenzo[b,f]azepine-5-carboxamide

InChIKey

FFGPTBGBLSHEPO-UHFFFAOYSA-N

SMILES

NC(=O)N1c2ccccc2C=Cc2ccccc21

InChI

InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)

Names & synonyms

5H-dibenzo[b,f]azepine-5-carboxamidecarbamazepinacarbamazepinumCarnexiv

Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.

Classification & relationships

ChEBI ontology

dibenzoazepineChEBI parent class · 47804 ↗ureasChEBI parent class · 47857 ↗

organic heterocyclic compound organic molecular entity

Roles recorded in ChEBI

antiviral agentantidepressantanxiolytic drugantipsychotic agentantimanic druganalgesicnon-narcotic analgesicanticonvulsantxenobioticsodium channel blocker

Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.

Mass ↔ amount of substance

Calculated from sourced mass

Amount

Input unit

Equivalent amount

0.00423237 mol

Uses 236.274 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions

C

Carbon · 15 atoms

76.25%

N

Nitrogen · 2 atoms

11.86%

O

Oxygen · 1 atom

6.77%

H

Hydrogen · 12 atoms

5.12%

Calculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.

Research & patent references

Selected source associations

Anticonvulsant and sodium channel-blocking properties of novel 10,11-dihydro-5H-dibenz[b,f]azepine-5-carboxamide derivatives. ↗Journal of medicinal chemistry · 1999 Jul 15 · PMID 10411478

Do carbamazepine and phenytoin aggravate juvenile myoclonic epilepsy? ↗Neurology · 2000 Oct 24 · PMID 11071486

US2004220187 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.

US2007167446 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.

US2011177136 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.

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Sources & record history

Checked 27 Sep 2026

Identity, formula, mass, synonyms & ontologyEMBL-EBI ChEBI · CHEBI:3387

Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0

Additional molecular descriptorsNCBI PubChem · CID 2554 · retrieved 2026-09-27

PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.

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