Cetirizine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 106
Total Number of Articles : 158
PubChem 2678
Molecular Formula

C21H25ClN2O3

SMILES

C1CN(CCN1CCOCC(=O)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl

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)

synonyms
  • cetirizine
  • 83881-51-0
  • Cetirizina
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Properties
Property Value
MW 388.9 g/mol
HBD 1
HBA 5
Rotatable Bond Count 8
Exact Mass 388.1553704 g/mol
Monoisotopic Mass 388.1553704 g/mol
Heavy Atom Count 27
Isotope Atom Count 0
Atom Stereo Count 1
Covalent Unit Count 1
Complexity 443
xlogp 1.7
Topological Polar Surface Area 53