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CHEBI:746987 - fexofenadine zwitterion

Default Structure
ChEBI IDCHEBI:746987
ChEBI Namefexofenadine zwitterion
Stars
DefinitionMajor species at pH 7.3 (predicted).
Last Modified30 November 2025
SubmitterR. Stephan
DownloadsMolfile
FormulaC32H39NO4
Net Charge0
Average Mass501.667
Monoisotopic Mass501.28791
SMILESCC(C)(C(=O)[O-])c1ccc(C(O)CCC[NH+]2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=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)
InChIKeyRWTNPBWLLIMQHL-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
fexofenadine zwitterion (CHEBI:746987) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
2-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-ium-1-yl]butyl]phenyl]-2-methylpropanoate