chempirical

Fexofenadine hydrochloride

C32H40ClNO4CAS 153439-40-8538.13 g/mol

Open in Covalent MOL file
OHOOHNOHHCl
AlcoholCarboxylic acidTertiary amine

Properties

Molecular formula
C32H40ClNO4
Molar mass
538.13 g/mol
Exact mass
537.2646 Da
logP
5.93Crippen estimate
Polar surface area
81.0 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
10

Identifiers

CAS number
153439-40-8
SMILES
CC(C)(C(=O)O)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.Cl
InChIKey
RRJFVPUCXDGFJB-UHFFFAOYSA-N
InChI
InChI=1S/C32H39NO4.ClH/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27;/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36);1H

Weigh it out

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

Names and synonyms

16 names · show all
  • Benzeneacetic acid, 4-[1-hydroxy-4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]butyl]-α,α-dimethyl-, hydrochloride (1:1)
  • Benzeneacetic acid, 4-[1-hydroxy-4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]butyl]-α,α-dimethyl-, hydrochloride
  • MDL 16455A
  • Allegra
  • Telfast
  • Telfast BD
  • Alernex
  • Fexo
  • Fexofen
  • Feksine
  • Fexadyne
  • Vivafeks
  • Fastofen
  • Fexodine
  • Rapido
  • 2-(4-[1-Hydroxy-4-[4-(hydroxydiphenylmethyl)piperidin-1-yl]butyl]phenyl)-2-methylpropanoic acid hydrochloride

Work with Fexofenadine 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

Fexofenadine83799-24-094 % similar Terfenadine50679-08-870 % similar 2-[4-[4-[4-(Hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]phenyl]-2,2-dimethylacetic acid methyl ester154477-55-151 % similar 2-Methyl-2-phenylpropanoic acid826-55-143 % similar α,α-Diphenyl-4-piperidinemethanol hydrochloride1798-50-138 % similar (±)-Trihexyphenidyl hydrochloride52-49-336 % similar α-Cyclopropyl-α-phenylbenzenemethanol5785-66-036 % similar 2-(4-Ethylphenyl)-2-methylpropanoic acid1247119-83-036 % similar

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

Elsewhere

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