chempirical

Vilanterol

C24H33Cl2NO5CAS 503068-34-6486.43 g/mol

Open in Covalent MOL file
HOHOHNOOClClHO
AlcoholAryl halideEtherPhenolSecondary amine

Properties

Molecular formula
C24H33Cl2NO5
Molar mass
486.43 g/mol
Exact mass
485.1736 Da
logP
4.61Crippen estimate
Polar surface area
91.2 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
16
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
503068-34-6
SMILES
OCc1cc([C@@H](O)CNCCCCCCOCCOCc2c(Cl)cccc2Cl)ccc1O
InChIKey
DAFYYTQWSAWIGS-DEOSSOPVSA-N
InChI
InChI=1S/C24H33Cl2NO5/c25-21-6-5-7-22(26)20(21)17-32-13-12-31-11-4-2-1-3-10-27-15-24(30)18-8-9-23(29)19(14-18)16-28/h5-9,14,24,27-30H,1-4,10-13,15-17H2/t24-/m0/s1

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Names and synonyms

5 names
  • 1,3-Benzenedimethanol, α1-[[[6-[2-[(2,6-dichlorophenyl)methoxy]ethoxy]hexyl]amino]methyl]-4-hydroxy-, (α1R)-
  • (α1R)-α1-[[[6-[2-[(2,6-Dichlorophenyl)methoxy]ethoxy]hexyl]amino]methyl]-4-hydroxy-1,3-benzenedimethanol
  • 4-[(R)-2-[[6-[2-(2,6-Dichlorobenzyloxy)ethoxy]hexyl]amino]-1-hydroxyethyl]-2-hydroxymethylphenol
  • GW 642444X
  • GW 642444

Work with Vilanterol

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

Vilanterol trifenatate503070-58-479 % similar Salmeterol89365-50-472 % similar Salmeterol xinafoate94749-08-353 % similar Salbutamol18559-94-944 % similar (-)-Salbutamol34391-04-344 % similar Levalbuterol hydrochloride50293-90-842 % similar Salbutamol sulfate51022-70-939 % similar α1-[[(1,1-Dimethylethyl)(phenylmethyl)amino]methyl]-4-hydroxy-1,3-benzenedimethanol24085-03-838 % similar

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

Elsewhere

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