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CHEBI:4670 - dobutamine

Default Structure
ChEBI IDCHEBI:4670
ChEBI Namedobutamine
Stars
DefinitionA catecholamine that is 4-(3-aminobutyl)phenol in which one of the hydrogens attached to the nitrogen is substituted by a 2-(3,4-dihydroxyphenyl)ethyl group. A β1-adrenergic receptor agonist that has cardiac stimulant action without evoking vasoconstriction or tachycardia, it is used as the hydrochloride to increase the contractility of the heart in the management of acute heart failure.
Secondary ChEBI IDsCHEBI:184505, CHEBI:554519
Last Modified22 February 2017
DownloadsMolfile
FormulaC18H23NO3
Net Charge0
Average Mass301.386
Monoisotopic Mass301.16779
SMILESCC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1
InChIInChI=1S/C18H23NO3/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
InChIKeyJRWZLRBJNMZMFE-UHFFFAOYSA-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:
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:
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.
neuroprotective agent  Any compound that can be used for the treatment of neurodegenerative disorders.
cardiovascular drug  A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume.
beta-adrenergic agonist  An agent that selectively binds to and activates β-adrenergic receptors.
ChEBI Ontology
Outgoing Relation(s)
dobutamine (CHEBI:4670) has role cardiotonic drug (CHEBI:38147)
dobutamine (CHEBI:4670) has role cardiovascular drug (CHEBI:35554)
dobutamine (CHEBI:4670) has role neuroprotective agent (CHEBI:63726)
dobutamine (CHEBI:4670) has role sympathomimetic agent (CHEBI:35524)
dobutamine (CHEBI:4670) has role β-adrenergic agonist (CHEBI:35522)
dobutamine (CHEBI:4670) is a catecholamine (CHEBI:33567)
dobutamine (CHEBI:4670) is a secondary amine (CHEBI:32863)
Incoming Relation(s)
dobutamine hydrochloride (CHEBI:4671) has part dobutamine (CHEBI:4670)
(R)-dobutamine (CHEBI:59804) is a dobutamine (CHEBI:4670)
(S)-dobutamine (CHEBI:59805) is a dobutamine (CHEBI:4670)
IUPAC Name 
4-(2-{[4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)benzene-1,2-diol
INNs  Source
dobutaminaChemIDplus
dobutamineWHO MedNet
dobutamineChemIDplus
dobutaminumChemIDplus
Synonyms  Source
3,4-dihydroxy-N-[3-(4-hydroxyphenyl)-1-methylpropyl]-β-phenylethylamineChEBI
4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-propylamino]-ethyl}-benzene-1,2-diolChEMBL
(±)-4-(2-((3-(p-hydroxyphenyl)-1-methylpropyl)amino)ethyl)pyrocatecholChemIDplus
COMPOUND 81929ChEMBL
COMPOUND-81929ChEMBL
DobutamineKEGG COMPOUND
Manual XrefsDatabases
937DrugCentral
C06967KEGG COMPOUND
D03879KEGG DRUG
DB00841DrugBank
DE2317710Patent
DobutamineWikipedia
HMDB0014979HMDB
LSM-1807LINCS
US3987200Patent
Registry NumbersSources
Reaxys:2946389Reaxys
CAS:34368-04-2KEGG COMPOUND
CAS:34368-04-2ChemIDplus
Citations