chempirical

Labetalol

C19H24N2O3CAS 36894-69-6328.41 g/mol

Open in Covalent MOL file
NHOHOHNH2O
AlcoholPhenolSecondary amine

Properties

Molecular formula
C19H24N2O3
Molar mass
328.41 g/mol
Exact mass
328.1787 Da
Melting point
188 °C
logP
2.92Crippen estimate
Polar surface area
96.6 Ų
H-bond donors / acceptors
5 / 4
Rotatable bonds
8

Identifiers

CAS number
36894-69-6
SMILES
CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(=N)O)c1
InChIKey
SGUAFYQXFOLMHL-UHFFFAOYSA-N
InChI
InChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24)

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Names and synonyms

8 names
  • Benzamide, 2-hydroxy-5-[1-hydroxy-2-[(1-methyl-3-phenylpropyl)amino]ethyl]-
  • 2-Hydroxy-5-[1-hydroxy-2-[(1-methyl-3-phenylpropyl)amino]ethyl]benzamide
  • AH 5158
  • Albetol
  • Ibidomide
  • (±)-Labetalol
  • 2-Hydroxy-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamide
  • 2-Hydroxy-5-(1-hydroxy-2-((4-phenylbutan-2-yl)amino)ethyl)benzamide

Work with Labetalol

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

Labetalol hydrochloride32780-64-694 % similar Benzamide, 2-hydroxy-5-[2-[(1-methyl-3-phenylpropyl)amino]acetyl]-, hydrochloride (1:1)96441-14-459 % similar Ractopamine97825-25-751 % similar Ractopamine hydrochloride90274-24-148 % similar Isoproterenol7683-59-243 % similar (±)-Isoproterenol hydrochloride51-30-941 % similar (-)-Isoproterenol hydrochloride5984-95-241 % similar (±)-Isoproterenol hydrochloride949-36-041 % similar

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

Elsewhere

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