chempirical

Dobutamine hydrochloride

C18H24ClNO3CAS 49745-95-1337.84 g/mol

Open in Covalent MOL file
OHNHHOHOHCl
PhenolSecondary amine

Properties

Molecular formula
C18H24ClNO3
Molar mass
337.84 g/mol
Exact mass
337.1445 Da
Melting point
184–186 °C
logP
3.38Crippen estimate
Polar surface area
72.7 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
7

Identifiers

CAS number
49745-95-1
SMILES
CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1.Cl
InChIKey
BQKADKWNRWCIJL-UHFFFAOYSA-N
InChI
InChI=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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • 1,2-Benzenediol, 4-[2-[[3-(4-hydroxyphenyl)-1-methylpropyl]amino]ethyl]-, hydrochloride (1:1)
  • 1,2-Benzenediol, 4-[2-[[3-(4-hydroxyphenyl)-1-methylpropyl]amino]ethyl]-, hydrochloride
  • Dl-Dobutamine hydrochloride
  • Dobutrex
  • Inotrex
  • NSC 299583

Work with Dobutamine hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Methyldopamine hydrochloride62-32-855 % similar Ractopamine97825-25-749 % similar (±)-Demethylcoclaurine hydrochloride11041-94-448 % similar Ritodrine hydrochloride23239-51-248 % similar N-Methyltyramine hydrochloride13062-76-545 % similar Dopamine hydrochloride62-31-744 % similar Higenamine5843-65-242 % similar Labetalol hydrochloride32780-64-640 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Isoxsuprine hydrochloride579-56-6 Ractopamine hydrochloride90274-24-1

Elsewhere

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