EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:50580 - arbutamine

ChEBI IDCHEBI:50580
ChEBI Namearbutamine
Stars
Last Modified22 February 2017
SubmitterInma Spiteri
DownloadsMolfile
FormulaC18H23NO4
Net Charge0
Average Mass317.385
Monoisotopic Mass317.16271
SMILESOc1ccc(CCCCNC[C@H](O)c2ccc(O)c(O)c2)cc1
InChIInChI=1S/C18H23NO4/c20-15-7-4-13(5-8-15)3-1-2-10-19-12-18(23)14-6-9-16(21)17(22)11-14/h4-9,11,18-23H,1-3,10,12H2/t18-/m0/s1
InChIKeyIIRWWTKISYTTBL-SFHVURJKSA-N
Wikipedia
Roles Classification
Chemical Roles:
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:
beta-adrenergic agonist  An agent that selectively binds to and activates β-adrenergic receptors.
Applications:
beta-adrenergic agonist  An agent that selectively binds to and activates β-adrenergic receptors.
cardiotonic drug  A drug that has a strengthening effect on the heart or that can increase cardiac output.
ChEBI Ontology
Outgoing Relation(s)
arbutamine (CHEBI:50580) has role cardiotonic drug (CHEBI:38147)
arbutamine (CHEBI:50580) has role β-adrenergic agonist (CHEBI:35522)
arbutamine (CHEBI:50580) is a catecholamine (CHEBI:33567)
IUPAC Name 
4-[(1R)-1-hydroxy-2-{[4-(4-hydroxyphenyl)butyl]amino}ethyl]benzene-1,2-diol
INNs  Source
arbutamineChemIDplus
arbutaminaChemIDplus
arbutaminumChemIDplus
Manual XrefsDatabases
DB01102DrugBank
EP329464Patent
US5395970Patent
D02976KEGG DRUG
ArbutamineWikipedia
237DrugCentral
Registry NumbersSources
Beilstein:7937544Beilstein
CAS:128470-16-6ChemIDplus