chempirical

(-)-Salbutamol

C13H21NO3CAS 34391-04-3239.31 g/mol

Open in Covalent MOL file
HNHOOHHO
AlcoholPhenolSecondary amine

Properties

Molecular formula
C13H21NO3
Molar mass
239.31 g/mol
Exact mass
239.1521 Da
logP
1.31Crippen estimate
Polar surface area
72.7 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
4
Stereocentres
Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
34391-04-3
SMILES
CC(C)(C)NC[C@H](O)c1ccc(O)c(CO)c1
InChIKey
NDAUXUAQIAJITI-LBPRGKRZSA-N
InChI
InChI=1S/C13H21NO3/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/t12-/m0/s1

Weigh it out

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

Names and synonyms

11 names
  • 1,3-Benzenedimethanol, α1-[[(1,1-dimethylethyl)amino]methyl]-4-hydroxy-, (α1R)-
  • 1,3-Benzenedimethanol, α1-[[(1,1-dimethylethyl)amino]methyl]-4-hydroxy-, (R)-
  • m-Xylene-α,α′-diol, α1-[(tert-butylamino)methyl]-4-hydroxy-, (R)-(-)-
  • (α1R)-α1-[[(1,1-Dimethylethyl)amino]methyl]-4-hydroxy-1,3-benzenedimethanol
  • (R)-(-)-Salbutamol
  • (-)-Albuterol
  • (R)-Albuterol
  • (R)-Salbutamol
  • Levosalbutamol
  • Levalbuterol
  • ASF 1096

Work with (-)-Salbutamol

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Salbutamol18559-94-9Stereo not defined Salbutamol sulfate51022-70-9Salt, stereo not defined Levalbuterol hydrochloride50293-90-8Salt Levalbuterol tartrate661464-94-4Salt

Similar compounds

Salbutamol dimer149222-15-178 % similar Albuterol methyl ether870076-72-567 % similar Alpha1-(((1,1-Dimethylethyl)amino)methyl)-4-(phenylmethoxy)-1,3-benzenedimethanol56796-66-860 % similar α1-[[(1,1-Dimethylethyl)(phenylmethyl)amino]methyl]-4-hydroxy-1,3-benzenedimethanol24085-03-856 % similar Terbutaline23031-25-653 % similar Salmeterol89365-50-448 % similar (±)-Adrenaline329-65-747 % similar (-)-3,4-Dihydroxy-α-[2-(methylamino)ethyl]benzyl alcohol51-43-447 % similar

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

Same formula

tert-Butyl 7-oxo-2-azaspiro[3.5]nonane-2-carboxylate1363381-22-9 tert-Butyl 2-oxo-7-azaspiro[3.5]nonane-7-carboxylate203661-69-2 N-Boc-9-azabicyclo[3.3.1]nonan-3-one512822-27-4 4-(2-Methylpropoxy)benzenemethanamine acetate (1:1)955997-89-4

Elsewhere

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