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Dibutepinephrine

CAT: 0013-GTR19218290-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19218290-01Size:5 mg
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Description
Dibutylephrine is a synthetic sympathomimetic amine utilized in research to study adrenergic receptor activity. It serves as a tool compound in pharmacological assays, including in vitro studies of vasoconstriction and in vivo models investigating cardiovascular responses.
CAS Number
2735735-23-4
Smiles
O (C (C (C) C) =O) C1=C (OC (C (C) C) =O) C=CC ([C@H] (CNC) O) =C1
Molecular Formula
C17H25NO5
Molecular Weight
323.38
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Dibutepinephrine
CAS Number2735735-23-4
PubChem CID163203538
IUPAC Name[4-[(1R)-1-hydroxy-2-(methylamino)ethyl]-2-(2-methylpropanoyloxy)phenyl] 2-methylpropanoate
Molecular FormulaC17H25NO5
Molecular Weight323.4
XLogP2.2
Topological Polar Surface Area84.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count23
Formal Charge0
Complexity396
SMILES
CC(C)C(=O)OC1=C(C=C(C=C1)[C@H](CNC)O)OC(=O)C(C)C
InChI
InChI=1S/C17H25NO5/c1-10(2)16(20)22-14-7-6-12(13(19)9-18-5)8-15(14)23-17(21)11(3)4/h6-8,10-11,13,18-19H,9H2,1-5H3/t13-/m0/s1
InChIKey
XUROVJXCRSDXKR-ZDUSSCGKSA-N
Chemical Structure
2D Structure
2D structure of Dibutepinephrine
CAS: 2735735-23-4
CID: 163203538
Formula: C17H25NO5
MW: 323.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight323.4
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass323.17327290
Monoisotopic Mass323.17327290
Topological Polar Surface Area84.9 Ų
Heavy Atom Count23
Formal Charge0
Complexity396
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T82564-01Dibutepinephrine
CS-O-64857Dibutepinephrine-d3

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