Molecular Identity
dobutamine
4-[2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzene-1,2-diol
PubChem CID: 36811
Dobutamine is a 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 beta1-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. It has a role as a beta-adrenergic agonist, a sympathomimetic agent and a cardiotonic drug. It is a secondary amine and a catecholamine.
2D Structure
Properties
C18H23NO3
Molecular Formula
301.40
Molecular Weight
g/mol
301.1678
Exact Mass
Da
3.4
XLogP
Drug-like (Lipinski: < 5)
72.7
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
4
H-Bond Acceptors
305
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
dobutamine34368-04-2DobutaminaDL-dobutamineRacemic dobutamineracemic-DobutamineDobutaminumrac-dobutamineCompound 819294-[2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzene-1,2-diol4-(2-{[4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)benzene-1,2-diolCOMPOUND-81929DTXSID3022958(+-)-4-(2-((3-(p-Hydroxyphenyl)-1-methylpropyl)amino)ethyl)pyrocatecholCHEBI:4670
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to dobutamine
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