fexofenadine

Home
Ligands
fexofenadine

Ligand id: 4819

Name: fexofenadine

Structure and Physico-chemical Properties

2D Structure

Calculated Physico-chemical Properties
Hydrogen bond acceptors	5
Hydrogen bond donors	3
Rotatable bonds	10
Topological polar surface area	81
Molecular weight	501.29
XLogP	8.4
No. Lipinski's rules broken	1

Molecular properties generated using the CDK

Classification
Compound class	Synthetic organic
Approved drug?	Yes (source: FDA (1996))

IUPAC Name
2-(4-{1-hydroxy-4-[4-(hydroxydiphenylmethyl)piperidin-1-yl]butyl}phenyl)-2-methylpropanoic acid

IUPAC Name

2-(4-{1-hydroxy-4-[4-(hydroxydiphenylmethyl)piperidin-1-yl]butyl}phenyl)-2-methylpropanoic acid

International Nonproprietary Names
INN number	INN
7469	fexofenadine

Synonyms
Allegra®
fexofenadine HCl

Synonyms

Allegra®

fexofenadine HCl

Database Links
CAS Registry No.	83799-24-0 (source: Scifinder)
ChEMBL Ligand	CHEMBL914
DrugBank Ligand	DB00950
PubChem CID	3348
Search Google for chemical match using the InChIKey	RWTNPBWLLIMQHL-UHFFFAOYSA-N
Search Google for chemicals with the same backbone	RWTNPBWLLIMQHL
Search PubMed clinical trials	fexofenadine
Search PubMed titles	fexofenadine
Search PubMed titles/abstracts	fexofenadine
Wikipedia	Fexofenadine

Comments
Fexofenadine is an antihistamine (histamine H₁ receptor antagonist), non-sedating antiallergic agent. The approved drug is a racemic mixture of two enatiomers (CID 9870655) and (CID 6603853). The structure shown here does not specify stereochemistry and represents the mixture.

Comments

Fexofenadine is an antihistamine (histamine H₁ receptor antagonist), non-sedating antiallergic agent. The approved drug is a racemic mixture of two enatiomers (CID 9870655) and (CID 6603853). The structure shown here does not specify stereochemistry and represents the mixture.