Molecular Identity
Clenbuterol
1-(4-amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethanol
PubChem CID: 2783
Clenbuterol is a substituted aniline that is 2,6-dichloroaniline in which the hydrogen at position 4 has been replaced by a 2-(tert-butylamino)-1-hydroxyethyl group. It has a role as a beta-adrenergic agonist, a bronchodilator agent and a sympathomimetic agent. It is an amino alcohol, a dichlorobenzene, a member of ethanolamines, a substituted aniline, a primary arylamine and a secondary amino compound. It is a conjugate base of a clenbuterol(1+).
2D Structure
Properties
C12H18Cl2N2O
Molecular Formula
277.19
Molecular Weight
g/mol
276.0796
Exact Mass
Da
2.2
XLogP
Drug-like (Lipinski: < 5)
58.3
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
3
H-Bond Acceptors
233
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)OIsomeric SMILES
SMILES: CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)OSynonyms(20)
clenbuterol37148-27-9PlanipartClenbuterolumContraspasminNAB 365(+-)-clenbuterolDTXSID7022833XTZ6AXU7KN1-(4-Amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethanol4-Amino-3,5-dichloro-alpha-(((1,1-dimethylethyl)amino)methyl)benzenemethanolNSC-758633DTXCID9028331-(4-Amino-3,5-dichloro-phenyl)-2-tert-butylamino-ethanolCHEBI:174690
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Clenbuterol
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