chempirical

Terfenadine

C32H41NO2CAS 50679-08-8471.69 g/mol

Open in Covalent MOL file
OHNOH
AlcoholTertiary amine

Properties

Molecular formula
C32H41NO2
Molar mass
471.69 g/mol
Exact mass
471.3137 Da
Melting point
146.5–148.5 °C
logP
6.45Crippen estimate
Polar surface area
43.7 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
8

Identifiers

CAS number
50679-08-8
SMILES
CC(C)(C)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
InChIKey
GUGOEEXESWIERI-UHFFFAOYSA-N
InChI
InChI=1S/C32H41NO2/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3

Weigh it out

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

Names and synonyms

22 names · show all
  • 1-Piperidinebutanol, α-[4-(1,1-dimethylethyl)phenyl]-4-(hydroxydiphenylmethyl)-
  • α-[4-(1,1-Dimethylethyl)phenyl]-4-(hydroxydiphenylmethyl)-1-piperidinebutanol
  • α-(p-tert-Butylphenyl)-4-(α-hydroxy-α-phenylbenzyl)-1-piperidinebutanol
  • Teldane
  • Seldane
  • Dl-Terfenadine
  • (±)-Terfenadine
  • Racemic terfenadine
  • Histadin
  • Triludan
  • NSC 665802
  • MDL 9918
  • Nebralin
  • Cyater
  • Allerplus
  • Terdin
  • Ternadin
  • Terfex
  • Teldanex
  • Histafen
  • Terfinax
  • 1-(4-tert-Butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol

Work with Terfenadine

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

Fexofenadine83799-24-074 % similar Fexofenadine hydrochloride153439-40-870 % similar 2-[4-[4-[4-(Hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]phenyl]-2,2-dimethylacetic acid methyl ester154477-55-146 % similar α-Cyclopropyl-α-phenylbenzenemethanol5785-66-045 % similar (S)-(+)-2-[Hydroxy(diphenyl)methyl]-1-methylpyrrolidine110529-22-142 % similar Azacyclonol115-46-841 % similar Ebastine90729-43-440 % similar 1-Phenyl-1-pentanol583-03-939 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook