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Dobutamine

CAT: 0931-T60677-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T60677-01Size:25 mg
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CAS Number
34368-04-2
Target
Others, Adrenergic Receptor
Related Pathways
GPCR/G Protein, Neuroscience, Others
Bioactivity
Dobutamine, a synthetic catecholamine, increases cardiac output and corrects hypoperfusion. It acts on α1-AR, β1-AR, and β2-AR (α-1, β-1, and β-2 adrenoceptors) with selective agonist activity on β1-AR and relatively weak activity at α1-AR and β2-AR. [1] [2] [3] [4].
Smiles
CC(CCC1=CC=C(O)C=C1)NCCC1=CC(O)=C(O)C=C1
Molecular Formula
C18H23NO3
Molecular Weight
301.38
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Dobutamine

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.

CAS Number34368-04-2
PubChem CID36811
IUPAC Name4-[2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzene-1,2-diol
Molecular FormulaC18H23NO3
Molecular Weight301.4
XLogP3.4
Topological Polar Surface Area72.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count22
Formal Charge0
Complexity305
SMILES
CC(CCC1=CC=C(C=C1)O)NCCC2=CC(=C(C=C2)O)O
InChI
InChI=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
InChIKey
JRWZLRBJNMZMFE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dobutamine
CAS: 34368-04-2
CID: 36811
Formula: C18H23NO3
MW: 301.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight301.4
XLogP33.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass301.16779360
Monoisotopic Mass301.16779360
Topological Polar Surface Area72.7 Ų
Heavy Atom Count22
Formal Charge0
Complexity305
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes