Chemical substance record

Atenolol

29122-68-7C₁₄H₂₂N₂O₃266.341 g/mol

Organic/Inorganic Small MoleculeChEBI source record

An ethanolamine compound having a (4-carbamoylmethylphenoxy)methyl group at the 1-position and an N-isopropyl substituent. — 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	29122-68-7	ChEBI ↗
Molecular formula	C₁₄H₂₂N₂O₃	ChEBI ↗
Molar mass	266.341 g/mol	ChEBI ↗
Monoisotopic mass	266.16304 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:2904	ChEBI ↗

Cross-source molecular data

PubChem

Molar mass	266.34 g/mol	PubChem ↗
Exact mass	266.16304257 Da	PubChem ↗
Computed XLogP	0.2	PubChem ↗
Topological polar surface area (Å²)	84.6	PubChem ↗
H-bond donors	3	PubChem ↗
H-bond acceptors	4	PubChem ↗
Rotatable bonds	8	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

atenolol

IUPAC name

2-(4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)acetamide

InChIKey

METKIMKYRPQLGS-UHFFFAOYSA-N

SMILES

CC(C)NCC(O)COc1ccc(CC(N)=O)cc1

InChI

InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)

Names & synonyms

2-(4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)acetamideatenololum

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

Classification & relationships

ChEBI ontology

ethanolaminesChEBI parent class · 23981 ↗monocarboxylic acid amideChEBI parent class · 29347 ↗propanolamineChEBI parent class · 35533 ↗

alcohol organic molecular entity

Roles recorded in ChEBI

antidepressanthypoglycemic agentbeta-adrenergic antagonistcardiovascular drugantineoplastic agentantihypertensive agentxenobioticanti-arrhythmia drugbone density conservation agentsympatholytic 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

0.00375459 mol

Uses 266.341 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 · 14 atoms

63.13%

O

Oxygen · 3 atoms

18.02%

N

Nitrogen · 2 atoms

10.52%

H

Hydrogen · 22 atoms

8.33%

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

Atenolol use is associated with long-term mortality in community-dwelling older adults with hypertension. ↗Geriatrics & gerontology international · 2014 Jan · PMID 23581644

[Pharmacologic importance of the combination atenolol/nifedipine in hypertensive patients]. ↗Drugs · 1998 · PMID 9813739

DE2007751 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.

US3663607 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.

US3836671 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.

Search PubMed Google Scholar

Sources & record history

Checked 27 Sep 2026

Identity, formula, mass, synonyms & ontologyEMBL-EBI ChEBI · CHEBI:2904

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

Additional molecular descriptorsNCBI PubChem · CID 2249 · 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