CETIRIZINE N-OXIDE

Details

Stereochemistry	RACEMIC
Molecular Formula	C21H25ClN2O4
Molecular Weight	404.887
Optical Activity	( + / - )
Defined Stereocenters	0 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

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

Molecular Formula	C21H25ClN2O4
Molecular Weight	404.887
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 2
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

PubMed

Title	Date	PubMed
Isolation and characterization of cetirizine degradation product: mechanism of cetirizine oxidation.	2010-07	20354769

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:34:12 GMT 2025` Edited by `admin` on `Mon Mar 31 21:34:12 GMT 2025`
Record UNII	GU9Z3NRN9V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(±)-CETIRIZINE N-OXIDE

Preferred 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 Mon Mar 31 21:34:12 GMT 2025 , Edited by admin on Mon Mar 31 21:34:12 GMT 2025

PRIMARY

FDA UNII

GU9Z3NRN9V

Created by admin on Mon Mar 31 21:34:12 GMT 2025 , Edited by admin on Mon Mar 31 21:34:12 GMT 2025

PRIMARY

PUBCHEM

45038602

Created by admin on Mon Mar 31 21:34:12 GMT 2025 , Edited by admin on Mon Mar 31 21:34:12 GMT 2025

PRIMARY

CAS

1076199-80-8

Created by admin on Mon Mar 31 21:34:12 GMT 2025 , Edited by admin on Mon Mar 31 21:34:12 GMT 2025

PRIMARY

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