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Chemical substance record

Baclofen

1134-47-0C10H12ClNO2213.664 g/mol
Organic/Inorganic Small MoleculeChEBI source record

A monocarboxylic acid that is butanoic acid substituted by an amino group at position 4 and a 4-chlorophenyl group at position 3. It acts as a central nervous system depressant, GABA agonist and muscle relaxant. — ChEBI

Safety references

Safety documents & references

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Identity & molecular properties

Source-linked values
CAS number1134-47-0ChEBI ↗
Molecular formulaC10H12ClNO2ChEBI ↗
Molar mass213.664 g/molChEBI ↗
Monoisotopic mass213.05566 DaChEBI ↗
Formal charge0ChEBI ↗
ChEBI identifierCHEBI:2972ChEBI ↗

Cross-source molecular data

PubChem
Molar mass213.66 g/molPubChem ↗
Exact mass213.0556563 DaPubChem ↗
Computed XLogP-1PubChem ↗
Topological polar surface area (Ų)63.3PubChem ↗
H-bond donors2PubChem ↗
H-bond acceptors3PubChem ↗
Rotatable bonds4PubChem ↗

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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baclofen
4-amino-3-(4-chlorophenyl)butanoic acid
KPYSYYIEGFHWSV-UHFFFAOYSA-N
NCC(CC(=O)O)c1ccc(Cl)cc1
InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)

Names & synonyms

4-amino-3-(4-chlorophenyl)butanoic acidbaclofenebaclofenobaclofenum

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

Classification & relationships

ChEBI ontology
monocarboxylic acidChEBI parent class · 25384 ↗gamma-amino acidChEBI parent class · 33707 ↗primary amino compoundChEBI parent class · 50994 ↗monochlorobenzenesChEBI parent class · 83403 ↗
carboxylic acidamino acidorganochlorine compoundorganic molecular entity

Roles recorded in ChEBI

analgesiccentral nervous system depressantantineoplastic agentimmunosuppressive agentmuscle relaxantGABA agonistneuroprotective agentanti-obesity agent

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
Equivalent amount
0.00468025 mol

Uses 213.664 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 · 10 atoms
56.22%
Cl
Chlorine · 1 atom
16.59%
O
Oxygen · 2 atoms
14.98%
N
Nitrogen · 1 atom
6.56%
H
Hydrogen · 12 atoms
5.66%

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
Control of transient lower oesophageal sphincter relaxations and reflux by the GABA(B) agonist baclofen in patients with gastro-oesophageal reflux disease. ↗Gut · 2002 Jan · PMID 11772961
Effects of baclofen on conditioned rewarding and discriminative stimulus effects of nicotine in rats. ↗Neuroscience letters · 2008 Oct 10 · PMID 18682277
NL6407755 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.
US3471548 · 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
EMBL-EBI ChEBI · CHEBI:2972

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

NCBI PubChem · CID 2284 · 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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