EcoDrugPlus


Synonyms	(-)-cetirizine (r)-cetirizine Cetirizine (r)-form Cetirizine, (-)- Cetirizine, (r)- Levocetirizine Xazal Xyzal
Status
Molecule Category	Free-form
ATC	R06AE09
UNII	6U5EA9RT2O
EPA CompTox	DTXSID60156294


InChI Key	ZKLPARSLTMPFCP-OAQYLSRUSA-N
Smiles	O=C(O)COCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1
InChI	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)/t21-/m1/s1

Property Name	Value
Molecular Formula	C21H25ClN2O3
Molecular Weight	388.9
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

Resources	Reference
ChEBI	94559
ChEMBL	CHEMBL1201191
DrugBank	DB06282
DrugCentral	1566
FDA SRS	6U5EA9RT2O
Human Metabolome Database	HMDB0240226
Guide to Pharmacology	1214
PDB	LCR
PubChem	1549000
SureChEMBL	SCHEMBL4914
ZINC	ZINC000019364230

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...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

LEVOCETIRIZINE

Structure

Physicochemical Descriptors

Related Entries

Cross References