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Details

Stereochemistry RACEMIC
Molecular Formula C23H29ClN2O3
Molecular Weight 416.941
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Cetirizine ethyl ester

SMILES

CCOC(=O)COCCN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=C(Cl)C=C3

InChI

InChIKey=ASHQTVRYHSZGQY-UHFFFAOYSA-N
InChI=1S/C23H29ClN2O3/c1-2-29-22(27)18-28-17-16-25-12-14-26(15-13-25)23(19-6-4-3-5-7-19)20-8-10-21(24)11-9-20/h3-11,23H,2,12-18H2,1H3

HIDE SMILES / InChI

Molecular Formula C23H29ClN2O3
Molecular Weight 416.941
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:40:07 GMT 2025
Edited
by admin
on Mon Mar 31 23:40:07 GMT 2025
Record UNII
58Q9ZS6YEL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Cetirizine ethyl ester
Common Name English
CETIRIZINE RELATED COMPOUND A [USP IMPURITY]
Preferred Name English
Ethyl 2-[2-[4-[(4-chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]acetate
Systematic Name English
Acetic acid, 2-[2-[4-[(4-chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]-, ethyl ester
Systematic Name English
CETIRIZINE RELATED COMPOUND A [USP-RS]
Common Name English
(RS)-2-(2-(4-((4-CHLOROPHENYL)PHENYLMETHYL)PIPERAZIN-1-YL)ETHOXY)ACETIC ACID ETHYL ESTER OXALATE
Systematic Name English
Code System Code Type Description
RS_ITEM_NUM
1102930
Created by admin on Mon Mar 31 23:40:07 GMT 2025 , Edited by admin on Mon Mar 31 23:40:07 GMT 2025
PRIMARY
EPA CompTox
DTXSID20431731
Created by admin on Mon Mar 31 23:40:07 GMT 2025 , Edited by admin on Mon Mar 31 23:40:07 GMT 2025
PRIMARY
PUBCHEM
9844843
Created by admin on Mon Mar 31 23:40:07 GMT 2025 , Edited by admin on Mon Mar 31 23:40:07 GMT 2025
PRIMARY
CAS
246870-46-2
Created by admin on Mon Mar 31 23:40:07 GMT 2025 , Edited by admin on Mon Mar 31 23:40:07 GMT 2025
PRIMARY
FDA UNII
58Q9ZS6YEL
Created by admin on Mon Mar 31 23:40:07 GMT 2025 , Edited by admin on Mon Mar 31 23:40:07 GMT 2025
PRIMARY