Fexofenadine

Synonyms: fexofenadine, "Carboxyterfenadine", "Terfenadine carboxylate", "Terfenadine-COOH", "Terfenadine acid metabolite", "Allegra", "Fexofendine", "(R)-Fexofenadine", "Telfast", "HSDB 7486", "MDL 16455", "2-(4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butyl)phenyl)-2-methylpropanoic acid", "4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alpha,alpha-dimethylbenzeneacetic acid".

Source: fexofenadine is a commonly prescribed drug by dermatologists, otorhinolaryngologists, and general practitioners for various indications.

Identifiers:

IUPAC Name: 2-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid
CAS Number: 83799-24-0
PubChem ID: 3348
InChiKey: 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

Structural Properties:

Molecular Formula: C₃₂H₃₉NO₄
Molecular Weight: 501.7

Pharmacophore Features:

Number of bond donors: 3
Number of bond acceptors: 5
Number of atoms different from hydrogen: 37

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Evidence Supporting This Chemical as an Emerging Contaminant

Hermes, N., Jewell, K., Wick, A., & Ternes, T. (2018). Quantification of more than 150 micropollutants including transformation products in aqueous samples by liquid chromatography-tandem mass spectrometry using scheduled multiple reaction monitoring. Journal of Chromatography A, 1531, 64?73.

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