Fexofenadine

enlarge

Systematic / IUPAC Name: 2-[4-(1-Hydroxy-4-{4-[hydroxy(diphenyl)methyl]-1-piperidinyl}butyl)phenyl]-2-methylpropanoic acid

ID: Reference2112

Other Names: Carboxyterfenadine;
Terfenadine carboxylate;
Telfast;
4-{1-Hydroxy-4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]butyl}-α,α-dimethylbenzeneacetic acid;
Benzeneacetic acid, 4-{1-hydroxy-4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]butyl}-α,α-dimethyl- ; more

Formula: C32H39NO4

Class: Therapeutics/Prescription Drugs Sports Doping Drugs

Spectral Data

Fexofenadine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Orbitrap; Q Exactive Plus Orbitrap
No. of Spectral Trees 3
No. of Spectra 164
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 7/21/2015 10:14:19 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C32H39NO4/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)
InChI Key RWTNPBWLLIMQHL-UHFFFAOYSA-N
Canonical SMILES CC(C)(C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O)C(=O)O
CAS 83799240
Splash
Other Names Carboxyterfenadine;
Terfenadine carboxylate;
Telfast;
4-{1-Hydroxy-4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]butyl}-α,α-dimethylbenzeneacetic acid;
Benzeneacetic acid, 4-{1-hydroxy-4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]butyl}-α,α-dimethyl-;
Fastofen;
Fexidine;
Vifas;
2-(4-{1-Hydroxy-4-[4-(hydroxydiphenylmethyl)piperidin-1-yl]butyl}phenyl)-2-methylpropanoic acid

In Other Databases

PubChem 3348
ChEMBL CHEMBL914
KEGG C06999; D07958
Wikipedia Fexofenadine
DrugBank DB00950
HMDb HMDB05030; HMDB05030
ChEBI CHEBI:5050
ChemIDPlus 138452218; 083799240
ChemSpider 3231