EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:4671 - dobutamine hydrochloride

ChEBI IDCHEBI:4671
ChEBI Namedobutamine hydrochloride
Stars
DefinitionThe hydrochloride salt of dobutamine. A β1-adrenergic receptor agonist that has cardiac stimulant action without evoking vasoconstriction or tachycardia, it is used to increase the contractility of the heart in the management of acute heart failure.
Last Modified20 July 2010
DownloadsMolfile
FormulaC18H24NO3.Cl
Net Charge0
Average Mass337.847
Monoisotopic Mass337.14447
SMILESCC(CCc1ccc(O)cc1)[NH2+]CCc1ccc(O)c(O)c1.[Cl-]
InChIInChI=1S/C18H23NO3.ClH/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15;/h4-9,12-13,19-22H,2-3,10-11H2,1H3;1H
InChIKeyBQKADKWNRWCIJL-UHFFFAOYSA-N
Roles Classification
Biological Roles:
beta-adrenergic agonist  An agent that selectively binds to and activates β-adrenergic receptors.
sympathomimetic agent  A drug that mimics the effects of stimulating postganglionic adrenergic sympathetic nerves. Included in this class are drugs that directly stimulate adrenergic receptors and drugs that act indirectly by provoking the release of adrenergic transmitters.
Applications:
beta-adrenergic agonist  An agent that selectively binds to and activates β-adrenergic receptors.
sympathomimetic agent  A drug that mimics the effects of stimulating postganglionic adrenergic sympathetic nerves. Included in this class are drugs that directly stimulate adrenergic receptors and drugs that act indirectly by provoking the release of adrenergic transmitters.
cardiotonic drug  A drug that has a strengthening effect on the heart or that can increase cardiac output.
ChEBI Ontology
Outgoing Relation(s)
dobutamine hydrochloride (CHEBI:4671) has part dobutamine (CHEBI:4670)
dobutamine hydrochloride (CHEBI:4671) has role cardiotonic drug (CHEBI:38147)
dobutamine hydrochloride (CHEBI:4671) has role sympathomimetic agent (CHEBI:35524)
dobutamine hydrochloride (CHEBI:4671) has role β-adrenergic agonist (CHEBI:35522)
dobutamine hydrochloride (CHEBI:4671) is a hydrochloride (CHEBI:36807)
IUPAC Name 
N-[2-(3,4-dihydroxyphenyl)ethyl]-4-(4-hydroxyphenyl)butan-2-aminium chloride
Synonyms  Source
dobutamine HClChemIDplus
DL-dobutamine hydrochlorideChemIDplus
(±)-4-(2-((3-(p-hydroxyphenyl)-1-methylpropyl)amino)ethyl)pyrocatechol hydrochlorideChemIDplus
4-(2-{[4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)benzene-1,2-diol hydrochlorideIUPAC
Manual XrefsDatabases
D00632KEGG DRUG
DB00841DrugBank
Registry NumbersSources
Beilstein:6023420Beilstein
CAS:49745-95-1KEGG DRUG
CAS:49745-95-1ChemIDplus