CETIRIZINE HYDROCHLORIDE

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Search structure


Trade Names	CETIRIZINE HYDROCHLORIDE CETIRIZINE HYDROCHLORIDE ALLERGY CETIRIZINE HYDROCHLORIDE HIVES CETIRIZINE HYDROCHLORIDE HIVES RELIEF CHILDREN'S CETIRIZINE HYDROCHLORIDE ALLERGY CHILDREN'S CETIRIZINE HYDROCHLORIDE HIVES RELIEF CHILDREN'S ZYRTEC ALLERGY CHILDREN'S ZYRTEC HIVES RELIEF QUZYTTIR ZERVIATE ZYRTEC ZYRTEC ALLERGY ZYRTEC HIVES RELIEF
Synonyms	Allacan Allertek Becoallergy Cetec Cetirizine Cetirizine dihydrochloride Cetirizine hcl Cetirizine hydrochloride Cetirizine hydrochloride allergy Cetirizine hydrochloride hives Cetirizine hydrochloride hives relief Cetirocol Cetrine Children's cetirizine hydrochloride allergy Children's cetirizine hydrochloride hives relief
Status
Molecule Category	Salt-form
UNII	64O047KTOA
EPA CompTox	DTXSID2044268
Parent Compound:	CETIRIZINE

Structure


InChI Key	PGLIUCLTXOYQMV-UHFFFAOYSA-N
Smiles	Cl.Cl.O=C(O)COCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1
InChI	InChI=1S/C21H25ClN2O3.2ClH/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);2*1H

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C21H27Cl3N2O3
Molecular Weight	461.82
AlogP	3.15
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	8.0
Polar Surface Area	53.01
Molecular species	ACID
Aromatic Rings	2.0
Heavy Atoms	27.0

Pharmacology

Mechanism of Action	Action	Reference
Histamine H1 receptor antagonist	ANTAGONIST	FDA

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides	-	-	-	-	76.54-78.28

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Cricetulus griseus	-	-	-	-	76.54-78.28

Target Conservation


Protein: Histamine H1 receptor Description: Histamine H1 receptor Organism : Homo sapiens P35367 ENSG00000196639

Cross References

Resources	Reference
ChEBI	3562
ChEMBL	CHEMBL1607273
FDA SRS	64O047KTOA
Guide to Pharmacology	1222
KEGG	C07778
PubChem	55182
SureChEMBL	SCHEMBL41107
ZINC	ZINC19364230

CONTENTS

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025