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CHEBI:4671 - dobutamine hydrochloride

Default Structure
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:
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.
beta-adrenergic agonist  An agent that selectively binds to and activates β-adrenergic receptors.
Applications:
cardiovascular drug  A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume.
cardiotonic drug  A drug that has a strengthening effect on the heart or that can increase cardiac output.
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.
beta-adrenergic agonist  An agent that selectively binds to and activates β-adrenergic receptors.
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 cardiovascular drug (CHEBI:35554)
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
(±)-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
46236ChEMBL
dobutamine HClChemIDplus
NSC-299583ChEMBL
DL-dobutamine hydrochlorideChemIDplus
Brand Names  Source
DobutrexChEMBL
InotrexChEMBL
PosijectChEMBL
Manual XrefsDatabases
D00632KEGG DRUG
DB00841DrugBank
Registry NumbersSources
Beilstein:6023420Beilstein
CAS:49745-95-1ChemIDplus
CAS:49745-95-1KEGG DRUG
Citations