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 (FDA (1996))
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
Database Links
CAS Registry No. 83799-24-0 (source: Scifinder)
ChEMBL Ligand CHEMBL914
DrugBank Ligand DB00950
GtoPdb PubChem SID 178101521
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
Search UniChem for chemical match using the InChIKey RWTNPBWLLIMQHL-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone RWTNPBWLLIMQHL
Wikipedia Fexofenadine
Comments
Fexofenadine is a metabolite of terfenadine. 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.