CHEBI:5051 - Fexofenadine hydrochloride

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Fexofenadine hydrochloride
ChEBI ID CHEBI:5051
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae C32H39NO4.HCl
C32H40ClNO4
Net Charge 0
Average Mass 538.118
Monoisotopic Mass 537.26459
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
InChIKey RRJFVPUCXDGFJB-UHFFFAOYSA-N
SMILES C1=CC=CC(=C1)C(C=2C=CC=CC2)(C3CCN(CC3)CCCC(C4=CC=C(C=C4)C(C(O)=O)(C)C)O)O.Cl
ChEBI Ontology
Outgoing Fexofenadine hydrochloride (CHEBI:5051) is a diarylmethane (CHEBI:51614)
Synonyms Sources
Allegra (TN) KEGG COMPOUND
Fexofenadine hydrochloride KEGG COMPOUND
Manual Xref Database
D00671 KEGG DRUG
View more database links
Registry Numbers Types Sources
138452-21-8 CAS Registry Number KEGG COMPOUND
153439-40-8 CAS Registry Number KEGG COMPOUND
Last Modified
06 March 2017