chempirical

Labetalol hydrochloride

C19H25ClN2O3CAS 32780-64-6364.87 g/mol

Open in Covalent MOL file
NHOHOHNH2OHCl
AlcoholPhenolSecondary amine

Properties

Molecular formula
C19H25ClN2O3
Molar mass
364.87 g/mol
Exact mass
364.1554 Da
Melting point
187–189 °C
logP
3.34Crippen estimate
Polar surface area
96.6 Ų
H-bond donors / acceptors
5 / 4
Rotatable bonds
8

Identifiers

CAS number
32780-64-6
SMILES
CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(=N)O)c1.Cl
InChIKey
WQVZLXWQESQGIF-UHFFFAOYSA-N
InChI
InChI=1S/C19H24N2O3.ClH/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);1H

Weigh it out

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

Names and synonyms

16 names · show all
  • Benzamide, 2-hydroxy-5-[1-hydroxy-2-[(1-methyl-3-phenylpropyl)amino]ethyl]-, hydrochloride (1:1)
  • Benzamide, 2-hydroxy-5-[1-hydroxy-2-[(1-methyl-3-phenylpropyl)amino]ethyl]-, monohydrochloride
  • Salicylamide, 5-[1-hydroxy-2-[(1-methyl-3-phenylpropyl)amino]ethyl]-, monohydrochloride
  • AH 5158A
  • AH 5158 hydrochloride
  • Trandate
  • Normodyne
  • Presdate
  • Labelol
  • Labracol
  • Pressalolo
  • Ipolab
  • Vescal
  • Amipress
  • Sch 15719W
  • NSC 290312

Work with Labetalol 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

Labetalol36894-69-694 % similar Benzamide, 2-hydroxy-5-[2-[(1-methyl-3-phenylpropyl)amino]acetyl]-, hydrochloride (1:1)96441-14-464 % similar Ractopamine hydrochloride90274-24-153 % similar Ractopamine97825-25-748 % similar (±)-Isoproterenol hydrochloride51-30-946 % similar (-)-Isoproterenol hydrochloride5984-95-246 % similar (±)-Isoproterenol hydrochloride949-36-046 % similar (±)-Epinephrine hydrochloride329-63-542 % similar

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

Elsewhere

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