chempirical

Esmolol hydrochloride

C16H26ClNO4CAS 81161-17-3331.84 g/mol

Open in Covalent MOL file
OOOOHNHHCl
AlcoholEsterEtherSecondary amine

Properties

Molecular formula
C16H26ClNO4
Molar mass
331.84 g/mol
Exact mass
331.1550 Da
Melting point
85–86 °C
logP
1.95Crippen estimate
Polar surface area
67.8 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
9

Identifiers

CAS number
81161-17-3
SMILES
COC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1.Cl
InChIKey
GEKNCWBANDDJJL-UHFFFAOYSA-N
InChI
InChI=1S/C16H25NO4.ClH/c1-12(2)17-10-14(18)11-21-15-7-4-13(5-8-15)6-9-16(19)20-3;/h4-5,7-8,12,14,17-18H,6,9-11H2,1-3H3;1H

Weigh it out

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

Names and synonyms

5 names
  • Benzenepropanoic acid, 4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-, methyl ester, hydrochloride (1:1)
  • Benzenepropanoic acid, 4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-, methyl ester, hydrochloride
  • ASL 8052
  • Brevibloc
  • Clol

Work with Esmolol 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

Esmolol81147-92-493 % similar Metoprolol37350-58-663 % similar Levobetaxolol hcl116209-55-362 % similar Betaxolol hydrochloride63659-19-862 % similar Metoprolol succinate98418-47-461 % similar Metoprolol tartrate56392-17-758 % similar Betaxolol63659-18-756 % similar Atenolol29122-68-755 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook