Chemical substance record

Vigabatrin

60643-86-9C₆H₁₁NO₂129.159 g/mol

Organic/Inorganic Small MoleculeChEBI source record

A γ-amino acid having a γ-vinyl GABA structure. It is an irreversible inhibitor of γ-aminobutyric 664 acid transaminase — ChEBI

Safety references

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Identity & molecular properties

Source-linked values

CAS number	60643-86-9	ChEBI ↗
Molecular formula	C₆H₁₁NO₂	ChEBI ↗
Molar mass	129.159 g/mol	ChEBI ↗
Monoisotopic mass	129.07898 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:63638	ChEBI ↗

Cross-source molecular data

PubChem

Molar mass	129.16 g/mol	PubChem ↗
Exact mass	129.078978594 Da	PubChem ↗
Computed XLogP	-2.2	PubChem ↗
Topological polar surface area (Å²)	63.3	PubChem ↗
H-bond donors	2	PubChem ↗
H-bond acceptors	3	PubChem ↗
Rotatable bonds	4	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

vigabatrin

IUPAC name

4-aminohex-5-enoic acid

InChIKey

PJDFLNIOAUIZSL-UHFFFAOYSA-N

SMILES

C=CC(N)CCC(=O)O

InChI

InChI=1S/C6H11NO2/c1-2-5(7)3-4-6(8)9/h2,5H,1,3-4,7H2,(H,8,9)

Names & synonyms

4-aminohex-5-enoic acidvigabatrinavigabatrinevigabatrinum

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

Classification & relationships

ChEBI ontology

gamma-amino acidChEBI parent class · 33707 ↗

carboxylic acid amino acid organic molecular entity

Roles recorded in ChEBI

anticonvulsantantispasmodic drugEC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitoranti-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

Amount

Input unit

Equivalent amount

0.0077424 mol

Uses 129.159 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 · 6 atoms

55.80%

O

Oxygen · 2 atoms

24.77%

N

Nitrogen · 1 atom

10.84%

H

Hydrogen · 11 atoms

8.58%

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

[Succinic semialdehyde dehydrogenase deficiency: decrease in 4-OH-butyric acid levels with low doses of vigabatrin]. ↗Anales de pediatria (Barcelona, Spain : 2003) · 2010 Feb · PMID 20018576

Effects of GABA-transaminase inhibitor Vigabatrin on thermoregulation in rats. ↗Amino acids · 2011 May · PMID 20878340

US3960927 · 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:63638

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

Additional molecular descriptorsNCBI PubChem · CID 5665 · 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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