cetirizine (zyrtec) Report issue

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

Back

Chemistry

Mol. Mass

388.9

ALogP

3.15

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: O=C(O)COCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1
  • InChIKey: ZKLPARSLTMPFCP-UHFFFAOYSA-N
    InChI=1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)
  • Chirality: Racemic Mixture
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1000   ChEMBL
cetirizine *

CHEMBL1201113   ChEMBL
cetirizine hydrochloride

CHEMBL1607273   ChEMBL
cetirizine hydrochloride

YO7261ME24   NCATS
cetirizine *

Cotrifazid   Wikipedia

Cetirizine   Wikipedia

Feedback

Data collection and curation is an ongoing process for CDEK - if you notice any information here to be missing or incorrect, please let us know! When possible, please include a source URL (we verify all data prior to inclusion).

Report issue