U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C21H26N2O3
Molecular Weight 354.4427
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DESCHLOROCETIRIZINE

SMILES

OC(=O)COCCN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChIKey=PCSREFRBRMMIHJ-UHFFFAOYSA-N
InChI=1S/C21H26N2O3/c24-20(25)17-26-16-15-22-11-13-23(14-12-22)21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,21H,11-17H2,(H,24,25)

HIDE SMILES / InChI

Molecular Formula C21H26N2O3
Molecular Weight 354.4427
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 06:04:28 UTC 2023
Edited
by admin
on Sat Dec 16 06:04:28 UTC 2023
Record UNII
VL4BXF63VB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DESCHLOROCETIRIZINE
Common Name English
2-(2-(4-(DIPHENYLMETHYL)PIPERAZIN-1-YL)ETHOXY)ACETIC ACID
Systematic Name English
2-(4-BENZHYDRYL-1-PIPERAZINYL)ETHOXYACETIC ACID
Systematic Name English
CETIRIZINE IMPURITY F
Common Name English
ACETIC ACID, 2-(2-(4-(DIPHENYLMETHYL)-1-PIPERAZINYL)ETHOXY)-
Common Name English
CETIRIZINE HYDROCHLORIDE IMPURITY, DESCHLOROCETIRIZINE- [USP IMPURITY]
Common Name English
CETIRIZINE DIHYDROCHLORIDE IMPURITY F [EP IMPURITY]
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID90232777
Created by admin on Sat Dec 16 06:04:28 UTC 2023 , Edited by admin on Sat Dec 16 06:04:28 UTC 2023
PRIMARY
PUBCHEM
3068851
Created by admin on Sat Dec 16 06:04:28 UTC 2023 , Edited by admin on Sat Dec 16 06:04:28 UTC 2023
PRIMARY
CAS
83881-53-2
Created by admin on Sat Dec 16 06:04:28 UTC 2023 , Edited by admin on Sat Dec 16 06:04:28 UTC 2023
PRIMARY
FDA UNII
VL4BXF63VB
Created by admin on Sat Dec 16 06:04:28 UTC 2023 , Edited by admin on Sat Dec 16 06:04:28 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP