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Details

Stereochemistry RACEMIC
Molecular Formula C21H25ClN2O4
Molecular Weight 404.887
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CETIRIZINE N-OXIDE

SMILES

OC(=O)COCC[N+]1([O-])CCN(CC1)C(C2=CC=CC=C2)C3=CC=C(Cl)C=C3

InChI

InChIKey=IVDOUUOLLFEMJQ-UHFFFAOYSA-N
InChI=1S/C21H25ClN2O4/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)23-10-12-24(27,13-11-23)14-15-28-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

TitleDatePubMed
Isolation and characterization of cetirizine degradation product: mechanism of cetirizine oxidation.
2010 Jul
Name Type Language
CETIRIZINE N-OXIDE
Common Name English
(±)-CETIRIZINE N-OXIDE
Common Name English
ACETIC ACID, 2-(2-(4-((4-CHLOROPHENYL)PHENYLMETHYL)-1-OXIDO-1-PIPERAZINYL)ETHOXY)-
Common Name English
2-(2-(4-((4-CHLOROPHENYL)(PHENYL)METHYL)PIPERAZIN-1-YL(ETHOXY)ACETIC ACID N1-OXIDE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID90891484
Created by admin on Sat Dec 16 05:52:56 GMT 2023 , Edited by admin on Sat Dec 16 05:52:56 GMT 2023
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FDA UNII
GU9Z3NRN9V
Created by admin on Sat Dec 16 05:52:56 GMT 2023 , Edited by admin on Sat Dec 16 05:52:56 GMT 2023
PRIMARY
PUBCHEM
45038602
Created by admin on Sat Dec 16 05:52:56 GMT 2023 , Edited by admin on Sat Dec 16 05:52:56 GMT 2023
PRIMARY
CAS
1076199-80-8
Created by admin on Sat Dec 16 05:52:56 GMT 2023 , Edited by admin on Sat Dec 16 05:52:56 GMT 2023
PRIMARY