chempirical

Ebastine

C32H39NO2CAS 90729-43-4469.67 g/mol

Open in Covalent MOL file
ONO
EtherKetoneTertiary amine

Properties

Molecular formula
C32H39NO2
Molar mass
469.67 g/mol
Exact mass
469.2981 Da
logP
7.22Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
9

Identifiers

CAS number
90729-43-4
SMILES
CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1
InChIKey
MJJALKDDGIKVBE-UHFFFAOYSA-N
InChI
InChI=1S/C32H39NO2/c1-32(2,3)28-18-16-25(17-19-28)30(34)15-10-22-33-23-20-29(21-24-33)35-31(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-9,11-14,16-19,29,31H,10,15,20-24H2,1-3H3

Weigh it out

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

Names and synonyms

9 names
  • 1-Butanone, 1-[4-(1,1-dimethylethyl)phenyl]-4-[4-(diphenylmethoxy)-1-piperidinyl]-
  • 1-[4-(1,1-Dimethylethyl)phenyl]-4-[4-(diphenylmethoxy)-1-piperidinyl]-1-butanone
  • Ebastin
  • LAS-W 090
  • Ebastel
  • RP 64305
  • Bastel
  • Kestine
  • Erostin

Work with Ebastine

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

2-[4-[4-[4-(Hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]phenyl]-2,2-dimethylacetic acid methyl ester154477-55-149 % similar 4-Chloro-1-[4-(1,1-dimethylethyl)phenyl]-1-butanone43076-61-546 % similar Diafen132-18-341 % similar Bepotastine125602-71-340 % similar Terfenadine50679-08-840 % similar 1-[4-(1,1-Dimethylethyl)phenyl]-1-propanone71209-71-740 % similar 2-Chloro-1-[4-(1,1-dimethylethyl)phenyl]ethanone21886-62-439 % similar Fluanisone1480-19-938 % similar

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

Elsewhere

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