(S)-cetirizine

Ligand id: 1215

Name: (S)-cetirizine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 53.01
Molecular weight 388.16
XLogP 4.21
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[2-[4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid
Database Links
CAS Registry No. 130018-76-7 (source: Scifinder)
ChEMBL Ligand CHEMBL1334217
PubChem CID 150716
RCSB PDB Ligand CZE
Search Google for chemical match using the InChIKey ZKLPARSLTMPFCP-NRFANRHFSA-N
Search Google for chemicals with the same backbone ZKLPARSLTMPFCP
Search UniChem for chemical match using the InChIKey ZKLPARSLTMPFCP-NRFANRHFSA-N
Search UniChem for chemicals with the same backbone ZKLPARSLTMPFCP
Comments
A component of the approved drug cetirizine, but not approved in its own right.