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Chemical substance record

Isoprenaline

7683-59-2C11H17NO3211.261 g/mol
Organic/Inorganic Small MoleculeChEBI source record

A secondary amino compound that is noradrenaline in which one of the hydrogens attached to the nitrogen is replaced by an isopropyl group. A sympathomimetic acting almost exclusively on β-adrenergic receptors, it is used (mainly as the hydrochloride salt) as a bronghodilator and heart stimulant for the management of a variety of cardiac disorders. — ChEBI

Safety references

Safety documents & references

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Identity & molecular properties

Source-linked values
CAS number7683-59-2ChEBI ↗
Molecular formulaC11H17NO3ChEBI ↗
Molar mass211.261 g/molChEBI ↗
Monoisotopic mass211.12084 DaChEBI ↗
Formal charge0ChEBI ↗
ChEBI identifierCHEBI:64317ChEBI ↗

Cross-source molecular data

PubChem
Molar mass211.26 g/molPubChem ↗
Exact mass211.12084340 DaPubChem ↗
Computed XLogP-0.6PubChem ↗
Topological polar surface area (Ų)72.7PubChem ↗
H-bond donors4PubChem ↗
H-bond acceptors4PubChem ↗
Rotatable bonds4PubChem ↗

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
isoprenaline
4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol
JWZZKOKVBUJMES-UHFFFAOYSA-N
CC(C)NCC(O)c1ccc(O)c(O)c1
InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3

Names & synonyms

4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diolisoprenalinaisoprenalinum

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

Classification & relationships

ChEBI ontology
catecholsChEBI parent class · 33566 ↗secondary alcoholChEBI parent class · 35681 ↗secondary amino compoundChEBI parent class · 50995 ↗
alcoholphenolsorganic molecular entity

Roles recorded in ChEBI

beta-adrenergic agonistbronchodilator agentsympathomimetic agentcardiotonic drug

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
0.00473348 mol

Uses 211.261 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 · 11 atoms
62.54%
O
Oxygen · 3 atoms
22.72%
H
Hydrogen · 17 atoms
8.11%
N
Nitrogen · 1 atom
6.63%

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
DE723278 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.
US2308232 · 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:64317

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

NCBI PubChem · CID 3779 · 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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