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Substance Name: Clenbuterol [INN:BAN]
RN: 37148-27-9
UNII: XTZ6AXU7KN
InChIKey: STJMRWALKKWQGH-UHFFFAOYSA-N

Note

  • A substituted phenylaminoethanol that has beta-2 adrenomimetic properties at very low doses. It is used as a bronchodilator in asthma.

Molecular Formula

  • C12-H18-Cl2-N2-O

Molecular Weight

  • 277.1932
 

Classification Codes

  • Adrenergic Agents
  • Adrenergic Agonists
  • Adrenergic beta-Agonists
  • Anti-Asthmatic Agents
  • Autonomic Agents
  • Bronchodilator Agents
  • Drug / Therapeutic Agent
  • Neurotransmitter Agents
  • Peripheral Nervous System Agents
  • Reproductive Effect
  • Respiratory System Agents
  • Sympathomimetics
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Names and Synonyms

Name of Substance

  • Clenbuterol
  • Clenbuterol [INN:BAN]

MeSH Heading

  • Clenbuterol

Synonyms

  • (RS)-Clenbutero
  • 4-Amino-3,5-dichloro-alpha-(((1,1-dimethylethyl)amino)methyl)benzenemethanol
  • 4-Amino-alpha-((tert-butylamino)methyl)-3,5-dichlorobenzyl alcohol
  • Benzyl alcohol, 4-amino-alpha-((tert-butylamino)methyl)-3,5-dichloro-
  • BRN 1076467
  • Clenbuterol
  • Clenbuterolum
  • Clenbuterolum [INN-Latin]
  • dl-Clenbuterol
  • EINECS 253-366-0
  • EINECS 256-529-4
  • Monores
  • NAB 365
  • P 5369
  • Planipart
  • UNII-XTZ6AXU7KN

Systematic Names

  • 4-Amino-alpha-((tert-butylamino)methyl)-3,5-dichlorobenzyl alcohol
  • Benzenemethanol, 4-amino-3,5-dichloro-alpha-(((1,1-dimethylethyl)amino)methyl)-
  • Clenbuterol

Registry Numbers

CAS Registry Number

  • 37148-27-9

FDA UNII

  • XTZ6AXU7KN

Other Registry Number

  • 50306-01-9

System Generated Number

  • 0037148279

Structure Descriptors

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

InChIKey

STJMRWALKKWQGH-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 27600ug/kg (27.6mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 22, Pg. 869, 1972.
women TDLo oral 4600ng/kg (0.0046mg/kg) GASTROINTESTINAL: NAUSEA OR VOMITING

BEHAVIORAL: TREMOR

BEHAVIORAL: HEADACHE
Toxicology Letters. Vol. 114, Pg. 47, 2000.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.000 (none)   EST
Atmospheric OH Rate Constant 8.64E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.