chempirical

Levalbuterol hydrochloride

C13H22ClNO3CAS 50293-90-8275.77 g/mol

Open in Covalent MOL file
HNHOOHHOHCl
AlcoholPhenolSecondary amine

Properties

Molecular formula
C13H22ClNO3
Molar mass
275.77 g/mol
Exact mass
275.1288 Da
logP
1.73Crippen estimate
Polar surface area
72.7 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
4
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
50293-90-8
SMILES
CC(C)(C)NC[C@H](O)c1ccc(O)c(CO)c1.Cl
InChIKey
OWNWYCOLFIFTLK-YDALLXLXSA-N
InChI
InChI=1S/C13H21NO3.ClH/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15;/h4-6,12,14-17H,7-8H2,1-3H3;1H/t12-;/m0./s1

Weigh it out

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

Names and synonyms

8 names
  • 1,3-Benzenedimethanol, α1-[[(1,1-dimethylethyl)amino]methyl]-4-hydroxy-, hydrochloride (1:1), (α1R)-
  • 1,3-Benzenedimethanol, α1-[[(1,1-dimethylethyl)amino]methyl]-4-hydroxy-, hydrochloride, (R)-
  • 1,3-Benzenedimethanol, α1-[[(1,1-dimethylethyl)amino]methyl]-4-hydroxy-, hydrochloride, (α1R)-
  • (-)-Salbutamol hydrochloride
  • (R)-Salbutamol hydrochloride
  • Xopenex
  • Levosalbutamol hydrochloride
  • (R)-4-(2-(tert-Butylamino)-1-hydroxyethyl)-2-(hydroxymethyl)phenol hydrochloride

Work with Levalbuterol 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

Salbutamol18559-94-993 % similar (-)-Salbutamol34391-04-393 % similar Salbutamol sulfate51022-70-977 % similar Levalbuterol tartrate661464-94-473 % similar α1-[[(1,1-Dimethylethyl)amino]methyl]-4-(phenylmethoxy)-1,3-benzenedimethanol56796-66-856 % similar α1-[[(1,1-Dimethylethyl)(phenylmethyl)amino]methyl]-4-hydroxy-1,3-benzenedimethanol24085-03-853 % similar Terbutaline23031-25-650 % similar (±)-Epinephrine hydrochloride329-63-550 % similar

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

Elsewhere

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