Chemical substance record

Trimethadione

127-48-0C₆H₉NO₃143.142 g/mol

Organic/Inorganic Small MoleculeChEBI source record

An oxazolidinone that is 1,3-oxazolidine-2,4-dione substituted by methyl groups at positions 3, 5 and 5. It is an antiepileptic agent. — ChEBI

Safety references

Safety documents & references

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Identity & molecular properties

Source-linked values

CAS number	127-48-0	ChEBI ↗
Molecular formula	C₆H₉NO₃	ChEBI ↗
Molar mass	143.142 g/mol	ChEBI ↗
Monoisotopic mass	143.05824 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:9727	ChEBI ↗

Cross-source molecular data

PubChem

Molar mass	143.14 g/mol	PubChem ↗
Exact mass	143.058243149 Da	PubChem ↗
Computed XLogP	0.3	PubChem ↗
Topological polar surface area (Å²)	46.6	PubChem ↗
H-bond donors	0	PubChem ↗
H-bond acceptors	3	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

trimethadione

IUPAC name

3,5,5-trimethyl-1,3-oxazolidine-2,4-dione

InChIKey

IRYJRGCIQBGHIV-UHFFFAOYSA-N

SMILES

CN1C(=O)OC(C)(C)C1=O

InChI

InChI=1S/C6H9NO3/c1-6(2)4(8)7(3)5(9)10-6/h1-3H3

Names & synonyms

3,5,5-trimethyl-1,3-oxazolidine-2,4-dioneAbsentolAbsetilConvenixaEdionEpidioneEpixalPetidionPetilepPetimalinPtimalTridione

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

Classification & relationships

ChEBI ontology

oxazolidinoneChEBI parent class · 55374 ↗

organic heterocyclic compound organic molecular entity

Roles recorded in ChEBI

geroprotectoranticonvulsant

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

0.00698607 mol

Uses 143.142 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

50.35%

O

Oxygen · 3 atoms

33.53%

N

Nitrogen · 1 atom

9.79%

H

Hydrogen · 9 atoms

6.34%

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

The effects of organic solvents on trimethadione n-demethylation in rats. ↗Research communications in molecular pathology and pharmacology · 1999 · PMID 10634315

[Fetal trimethadione effects]. ↗Ryoikibetsu shokogun shirizu · 2000 · PMID 11057156

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Sources & record history

Checked 27 Sep 2026

Identity, formula, mass, synonyms & ontologyEMBL-EBI ChEBI · CHEBI:9727

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

Additional molecular descriptorsNCBI PubChem · CID 5576 · 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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