Chemical substance record

Ebselen

60940-34-3C₁₃H₉NOSe274.181 g/mol

Organic/Inorganic Small MoleculeChEBI source record

A benzoselenazole that is 1,2-benzoselenazol-3-one carrying an additional phenyl substituent at position 2. Acts as a mimic of glutathione peroxidase. — ChEBI

Safety references

Safety documents & references

Supplier matching matters

Find the safety document for your specific supplier, product number and grade.

Find a product-specific SDS

Search SDS PDFs Sigma-Aldrich Thermo Fisher

Safety guides and government classification records are not a manufacturer’s SDS. Match supplier, product number, concentration, physical form, region and revision before using a document.

Identity & molecular properties

Source-linked values

CAS number	60940-34-3	ChEBI ↗
Molecular formula	C₁₃H₉NOSe	ChEBI ↗
Molar mass	274.181 g/mol	ChEBI ↗
Monoisotopic mass	274.98494 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:77543	ChEBI ↗

Cross-source molecular data

PubChem

Molar mass	274.19 g/mol	PubChem ↗
Exact mass	274.98494 Da	PubChem ↗
Topological polar surface area (Å²)	20.3	PubChem ↗
H-bond donors	0	PubChem ↗
H-bond acceptors	1	PubChem ↗
Rotatable bonds	1	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

Copy any identifier

Source preferred name

ebselen

IUPAC name

2-phenyl-1,2-benzoselenazol-3(2H)-one

InChIKey

DYEFUKCXAQOFHX-UHFFFAOYSA-N

SMILES

O=c1c2ccccc2[se]n1-c1ccccc1

InChI

InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H

Names & synonyms

2-phenyl-1,2-benzoselenazol-3(2H)-oneebseleneebselenoebselenum

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

Classification & relationships

ChEBI ontology

benzoselenazoleChEBI parent class · 78151 ↗

organic heterocyclic compound organic molecular entity

Roles recorded in ChEBI

EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitoranticoronaviral agentferroptosis inhibitorEC 3.1.3.25 (inositol-phosphate phosphatase) inhibitorantioxidantantiviral agentantibacterial agentantidepressantanti-inflammatory drugantipsychotic 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

0.00364723 mol

Uses 274.181 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 · 13 atoms

56.95%

Se

Selenium · 1 atom

28.80%

O

Oxygen · 1 atom

5.83%

N

Nitrogen · 1 atom

5.11%

H

Hydrogen · 9 atoms

3.31%

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

Ebselen: prospective therapy for cerebral ischaemia. ↗Expert opinion on investigational drugs · 2000 Mar · PMID 11060699

Oxidants in receptor tyrosine kinase signal transduction pathways. ↗Antioxidants & redox signaling · 2003 Dec · PMID 14588151

Search PubMed Google Scholar

Sources & record history

Checked 27 Sep 2026

Identity, formula, mass, synonyms & ontologyEMBL-EBI ChEBI · CHEBI:77543

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

Additional molecular descriptorsNCBI PubChem · CID 3194 · 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.

How this record was assembled Suggest a correction