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CHEBI:5051 - Fexofenadine hydrochloride

ChEBI IDCHEBI:5051
ChEBI NameFexofenadine hydrochloride
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaC32H39NO4.HCl
Net Charge0
Average Mass538.128
Monoisotopic Mass537.26459
SMILESCC(C)(C(=O)O)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.Cl
InChIInChI=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
InChIKeyRRJFVPUCXDGFJB-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Fexofenadine hydrochloride (CHEBI:5051) is a diarylmethane (CHEBI:51614)
Synonyms  Source
Fexofenadine hydrochlorideKEGG COMPOUND
Allegra (TN)KEGG COMPOUND
Manual XrefsDatabases
D00671KEGG DRUG
Registry NumbersSources
CAS:153439-40-8KEGG COMPOUND
CAS:138452-21-8KEGG COMPOUND