Molecular Identity
Salbutamol
4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol
PubChem CID: 2083
Albuterol is a member of the class of phenylethanolamines that is 4-(2-amino-1-hydroxyethyl)-2-(hydroxymethyl)phenol having a tert-butyl group attached to the nirogen atom. It acts as a beta-adrenergic agonist used in the treatment of asthma and chronic obstructive pulmonary disease (COPD). It has a role as a beta-adrenergic agonist, a bronchodilator agent, a xenobiotic and an environmental contaminant. It is a member of phenylethanolamines, a member of phenols and a secondary amino compound.
2D Structure
Properties
C13H21NO3
Molecular Formula
239.31
Molecular Weight
g/mol
239.1521
Exact Mass
Da
0.3
XLogP
Drug-like (Lipinski: < 5)
72.7
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
4
H-Bond Acceptors
227
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Salbutamolalbuterol18559-94-9VentolineProventil HFASalbutamolumAsthalinCobutolinSalbuventAsmavenSalamolAsmolAerolin4-[2-(tert-Butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenolVentilan
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Salbutamol
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