fexofenadine (allegra) Report issue

Small molecule Approved FDA
AACT ChEMBL DrugBank Drug Central Drugs@FDA KEGG MeSH PubChem repoDB

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Chemistry

Mol. Mass

501.67

ALogP

5.51

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CC(C)(C(=O)O)c1ccc(cc1)C(O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4
  • InChIKey: RWTNPBWLLIMQHL-UHFFFAOYSA-N
    InChI=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)
  • Chirality: Racemic Mixture
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL914   ChEMBL
fexofenadine *

CHEMBL1200618   ChEMBL
fexofenadine hydrochloride

E6582LOH6V   NCATS
fexofenadine *

Fexofenadine   Wikipedia

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