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Chemical substance record

Alprenolol

13655-52-2C15H23NO2249.354 g/mol
Organic/Inorganic Small MoleculeChEBI source record

A secondary alcohol that is propan-2-ol substituted by a 2-allylphenoxy group at position 1 and an isopropylamino group at position 3. It is a β-adrenergic antagonist used as a antihypertensive, anti-arrhythmia and a sympatholytic agent. — ChEBI

Safety references

Safety documents & references

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Identity & molecular properties

Source-linked values
CAS number13655-52-2ChEBI ↗
Molecular formulaC15H23NO2ChEBI ↗
Molar mass249.354 g/molChEBI ↗
Monoisotopic mass249.17288 DaChEBI ↗
Formal charge0ChEBI ↗
ChEBI identifierCHEBI:51211ChEBI ↗

Cross-source molecular data

PubChem
Molar mass249.35 g/molPubChem ↗
Exact mass249.172878976 DaPubChem ↗
Computed XLogP3.1PubChem ↗
Topological polar surface area (Ų)41.5PubChem ↗
H-bond donors2PubChem ↗
H-bond acceptors3PubChem ↗
Rotatable bonds8PubChem ↗

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
alprenolol
1-[2-(propen-2-ylphenoxy)]-3-(isopropylamino)propan-2-ol
PAZJSJFMUHDSTF-UHFFFAOYSA-N
C=CCc1ccccc1OCC(O)CNC(C)C
InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3

Names & synonyms

1-[2-(propen-2-ylphenoxy)]-3-(isopropylamino)propan-2-olalprenololum

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

Classification & relationships

ChEBI ontology
secondary alcoholChEBI parent class · 35681 ↗secondary amino compoundChEBI parent class · 50995 ↗
alcoholorganic molecular entity

Roles recorded in ChEBI

beta-adrenergic antagonistcardiovascular drugantihypertensive agentanti-arrhythmia drugsympatholytic 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
0.00401036 mol

Uses 249.354 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 · 15 atoms
72.25%
O
Oxygen · 2 atoms
12.83%
H
Hydrogen · 23 atoms
9.30%
N
Nitrogen · 1 atom
5.62%

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
Chiral separation of beta-adrenergic blockers on CelluCoat column by HPLC. ↗Talanta · 2009 Apr 30 · PMID 19203609
[Beta blockers in migraine prophylaxis]. ↗Brain and nerve = Shinkei kenkyu no shinpo · 2009 Oct · PMID 19882938
NL6605692 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.
NL6612958 · 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:51211

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

NCBI PubChem · CID 2119 · 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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