CHEBI:8746 - (R)-salbutamol

ChEBI IDCHEBI:8746
ChEBI Name(R)-salbutamol
Stars
ASCII Name(R)-salbutamol
Last Modified22 February 2017
DownloadsMolfile
FormulaC13H21NO3
Net Charge0
Average Mass239.315
Monoisotopic Mass239.15214
SMILESCC(C)(C)NC[C@H](O)c1ccc(O)c(CO)c1
InChIInChI=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/t12-/m0/s1
InChIKeyNDAUXUAQIAJITI-LBPRGKRZSA-N
Wikipedia
Roles Classification
Chemical Roles:
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 (Brønsted acid).
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
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.
beta-adrenergic agonist  An agent that selectively binds to and activates β-adrenergic receptors.
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.
ChEBI Ontology
Outgoing Relation(s)
(R)-salbutamol (CHEBI:8746) is a albuterol (CHEBI:2549)
IUPAC Name 
4-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol
Synonyms  Source
R-SalbutamolKEGG COMPOUND
LevalbuterolKEGG COMPOUND
(-)-AlbuterolChemIDplus
(-)-SalbutamolChemIDplus
LevosalbutamolChemIDplus
(R)-albuterolChEBI
Manual XrefsDatabases
C11770KEGG COMPOUND
LevalbuterolWikipedia
68HPDBeChem
D08124KEGG DRUG
LSM-5480LINCS
1575DrugCentral
Registry NumbersSources
Beilstein:5741175Beilstein
CAS:34391-04-3KEGG COMPOUND
CAS:34391-04-3ChemIDplus