Chemical substance record

Clenbuterol

37148-27-9C₁₂H₁₈Cl₂N₂O277.195 g/mol

Organic/Inorganic Small MoleculeChEBI source record

A substituted aniline that is 2,6-dichloroaniline in which the hydrogen at position 4 has been replaced by a 2-(tert-butylamino)-1-hydroxyethyl group. — ChEBI

Safety references

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Identity & molecular properties

Source-linked values

CAS number	37148-27-9	ChEBI ↗
Molecular formula	C₁₂H₁₈Cl₂N₂O	ChEBI ↗
Molar mass	277.195 g/mol	ChEBI ↗
Monoisotopic mass	276.07962 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:174690	ChEBI ↗

Cross-source molecular data

PubChem

Molar mass	277.19 g/mol	PubChem ↗
Exact mass	276.0796186 Da	PubChem ↗
Computed XLogP	2.2	PubChem ↗
Topological polar surface area (Å²)	58.3	PubChem ↗
H-bond donors	3	PubChem ↗
H-bond acceptors	3	PubChem ↗
Rotatable bonds	4	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

clenbuterol

IUPAC name

1-(4-amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethanol

InChIKey

STJMRWALKKWQGH-UHFFFAOYSA-N

SMILES

CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1

InChI

InChI=1S/C12H18Cl2N2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,10,16-17H,6,15H2,1-3H3

Names & synonyms

1-(4-amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethanolclenbuterolum

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

Classification & relationships

ChEBI ontology

amino alcoholChEBI parent class · 22478 ↗dichlorobenzeneChEBI parent class · 23697 ↗ethanolaminesChEBI parent class · 23981 ↗substituted anilineChEBI parent class · 48975 ↗primary arylamineChEBI parent class · 50471 ↗secondary amino compoundChEBI parent class · 50995 ↗

alcohol amine organochlorine compound organic molecular entity

Roles recorded in ChEBI

beta-adrenergic agonistbronchodilator agentsympathomimetic agentantiparkinson 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

Amount

Input unit

Equivalent amount

0.00360757 mol

Uses 277.195 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 · 12 atoms

52.00%

Cl

Chlorine · 2 atoms

25.58%

N

Nitrogen · 2 atoms

10.11%

H

Hydrogen · 18 atoms

6.55%

O

Oxygen · 1 atom

5.77%

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

Clenbuterol, a β2-adrenergic agonist, reciprocally alters PGC-1 alpha and RIP140 and reduces fatty acid and pyruvate oxidation in rat skeletal muscle. ↗American journal of physiology. Regulatory, integrative and comparative physiology · 2012 Feb 1 · PMID 22071161

Development of a routine method for the simultaneous confirmation and determination of clenbuterol in urine by minimal labeling isotope pattern deconvolution and GC-EI-MS. ↗Analytical and bioanalytical chemistry · 2012 Feb · PMID 22241580

US3536712 · 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

Identity, formula, mass, synonyms & ontologyEMBL-EBI ChEBI · CHEBI:174690

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

Additional molecular descriptorsNCBI PubChem · CID 2783 · 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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