CHEBI:2549 - albuterol

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ChEBI Name albuterol
ChEBI ID CHEBI:2549
Definition 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 β-adrenergic agonist used in the treatment of asthma and chronic obstructive pulmonary disease (COPD).
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C13H21NO3
Net Charge 0
Average Mass 239.31070
InChI InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3
InChIKey NDAUXUAQIAJITI-UHFFFAOYSA-N
SMILES CC(C)(C)NCC(O)c1ccc(O)c(CO)c1
Roles Classification
Chemical Role(s): environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Role(s): beta-adrenergic agonist
An agent that selectively binds to and activates beta-adrenergic receptors.
xenobiotic
A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
Application(s): beta-adrenergic agonist
An agent that selectively binds to and activates beta-adrenergic receptors.
bronchodilator agent
An agent that causes an increase in the expansion of a bronchus or bronchial tubes.
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ChEBI Ontology
Outgoing albuterol (CHEBI:2549) has role β-adrenergic agonist (CHEBI:35522)
albuterol (CHEBI:2549) has role bronchodilator agent (CHEBI:35523)
albuterol (CHEBI:2549) has role environmental contaminant (CHEBI:78298)
albuterol (CHEBI:2549) has role xenobiotic (CHEBI:35703)
albuterol (CHEBI:2549) is a phenols (CHEBI:33853)
albuterol (CHEBI:2549) is a phenylethanolamines (CHEBI:25990)
albuterol (CHEBI:2549) is a secondary amino compound (CHEBI:50995)
Incoming albuterol sulfate (CHEBI:2550) has functional parent albuterol (CHEBI:2549)
(R)-salbutamol (CHEBI:8746) is a albuterol (CHEBI:2549)
IUPAC Name
4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol
Synonyms Sources
Albuterol KEGG DRUG
Proventil KEGG DRUG
Salbutamol ChemIDplus
Database Links Databases
Albuterol Wikipedia
D02147 KEGG DRUG
DB01001 DrugBank
HMDB01937 HMDB
View more database links
Registry Numbers Types Sources
18559-94-9 CAS Registry Number ChemIDplus
18559-94-9 CAS Registry Number KEGG DRUG
2213614 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
8267204 PubMed citation CiteXplore
9847435 PubMed citation CiteXplore
Last Modified
29 October 2014