CHEBI:174690 - clenbuterol

ChEBI IDCHEBI:174690
ChEBI Nameclenbuterol
Stars
DefinitionA substituted aniline that is 2,6-dichloroaniline in which the hydrogen at position 4 has been replaced by a 2-(tert-butylamino)-1-hydroxyethyl group.
Last Modified26 November 2019
DownloadsMolfile
FormulaC12H18Cl2N2O
Net Charge0
Average Mass277.195
Monoisotopic Mass276.07962
SMILESCC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=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
InChIKeySTJMRWALKKWQGH-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
beta-adrenergic agonist  An agent that selectively binds to and activates β-adrenergic receptors.
sympathomimetic agent  A drug that mimics the effects of stimulating postganglionic adrenergic sympathetic nerves. Included in this class are drugs that directly stimulate adrenergic receptors and drugs that act indirectly by provoking the release of adrenergic transmitters.
Applications:
bronchodilator agent  An agent that causes an increase in the expansion of a bronchus or bronchial tubes.
beta-adrenergic agonist  An agent that selectively binds to and activates β-adrenergic receptors.
sympathomimetic agent  A drug that mimics the effects of stimulating postganglionic adrenergic sympathetic nerves. Included in this class are drugs that directly stimulate adrenergic receptors and drugs that act indirectly by provoking the release of adrenergic transmitters.
ChEBI Ontology
Outgoing Relation(s)
clenbuterol (CHEBI:174690) has role bronchodilator agent (CHEBI:35523)
clenbuterol (CHEBI:174690) has role sympathomimetic agent (CHEBI:35524)
clenbuterol (CHEBI:174690) has role β-adrenergic agonist (CHEBI:35522)
clenbuterol (CHEBI:174690) is a amino alcohol (CHEBI:22478)
clenbuterol (CHEBI:174690) is a dichlorobenzene (CHEBI:23697)
clenbuterol (CHEBI:174690) is a ethanolamines (CHEBI:23981)
clenbuterol (CHEBI:174690) is a primary arylamine (CHEBI:50471)
clenbuterol (CHEBI:174690) is a secondary amino compound (CHEBI:50995)
clenbuterol (CHEBI:174690) is a substituted aniline (CHEBI:48975)
clenbuterol (CHEBI:174690) is conjugate base of clenbuterol(1+) (CHEBI:61153)
Incoming Relation(s)
(R)-clenbuterol (CHEBI:59567) is a clenbuterol (CHEBI:174690)
(S)-clenbuterol (CHEBI:59568) is a clenbuterol (CHEBI:174690)
clenbuterol(1+) (CHEBI:61153) is conjugate acid of clenbuterol (CHEBI:174690)
IUPAC Name 
1-(4-amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethanol
INNs  Source
clenbuterolChemIDplus
clenbuterolWHO MedNet
clenbutérolWHO MedNet
clenbuterolumChemIDplus
Synonyms  Source
1-(4-Amino-3,5-dichloro-phenyl)-2-tert-butylamino-ethanolChEMBL
4-amino-3,5-dichloro-α-(((1,1-dimethylethyl)amino)methyl)benzenemethanolChemIDplus
4-amino-α-((tert-butylamino)methyl)-3,5-dichlorobenzyl alcoholChemIDplus
(±)-clenbuterolChEBI
CLENBUTEROLChEMBL
Manual XrefsDatabases
1884VSDB
673DrugCentral
D07713KEGG DRUG
DB01407DrugBank
LSM-5144LINCS
US3536712Patent
Registry NumbersSources
Reaxys:1076467Reaxys
CAS:37148-27-9ChemIDplus
CAS:37148-27-9KEGG DRUG
Citations