albuterol (CHEBI:2549)

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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

Average Mass

239.31070

Monoisotopic Mass

239.15214

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. Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

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.

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

Last Modified

22 February 2017