Molecular Identity
Fexofenadine
2-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid
PubChem CID: 3348
Fexofenadine is a piperidine-based anti-histamine compound. It has a role as a H1-receptor antagonist and an anti-allergic agent. It is a member of piperidines and a tertiary amine. It is functionally related to an isobutyric acid.
2D Structure
Properties
C32H39NO4
Molecular Formula
501.70
Molecular Weight
g/mol
501.2879
Exact Mass
Da
3
XLogP
Drug-like (Lipinski: < 5)
81
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
5
H-Bond Acceptors
678
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)(C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O)C(=O)OIsomeric SMILES
SMILES: CC(C)(C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O)C(=O)OSynonyms(20)
fexofenadine83799-24-0CarboxyterfenadineTerfenadine carboxylateTerfenadine-COOHTerfenadine acid metaboliteTelfastMDL 16455Fexofenadina4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alpha,alpha-dimethylbenzeneacetic acidE6582LOH6V2-(4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butyl)phenyl)-2-methylpropanoic acid2-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid2-(4-{1-HYDROXY-4-[4-(HYDROXYDIPHENYLMETHYL)PIPERIDIN-1-YL]BUTYL}PHENYL)-2-METHYLPROPANOIC ACIDMDL-16455
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Fexofenadine
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