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Details

Stereochemistry RACEMIC
Molecular Formula C19H21ClN2O2
Molecular Weight 344.835
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DE(CARBOXYMETHOXY) CETIRIZINE ACETIC ACID

SMILES

OC(=O)CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=C(Cl)C=C3

InChI

InChIKey=NBQBQRKLQXVPIS-UHFFFAOYSA-N
InChI=1S/C19H21ClN2O2/c20-17-8-6-16(7-9-17)19(15-4-2-1-3-5-15)22-12-10-21(11-13-22)14-18(23)24/h1-9,19H,10-14H2,(H,23,24)

HIDE SMILES / InChI

Molecular Formula C19H21ClN2O2
Molecular Weight 344.835
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 21:43:52 GMT 2025
Edited
by admin
on Mon Mar 31 21:43:52 GMT 2025
Record UNII
8AO4AEB0V4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DE(CARBOXYMETHOXY) CETIRIZINE ACETIC ACID
Common Name English
CETIRIZINE ACETIC ACID
Preferred Name English
CETIRIZINE DIHYDROCHLORIDE IMPURITY B [EP IMPURITY]
Common Name English
CETIRIZINE IMPURITY B
Common Name English
(±)-2-(4-((4-CHLOROPHENYL)PHENYLMETHYL)PIPERAZIN-1-YL)ACETIC ACID
Systematic Name English
CETIRIZINE HYDROCHLORIDE IMPURITY, CETIRIZINE ACETIC ACID- [USP IMPURITY]
Common Name English
(RS)-2-(4-((4-CHLOROPHENYL)PHENYLMETHYL)PIPERAZIN-1-YL)ACETIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
8AO4AEB0V4
Created by admin on Mon Mar 31 21:43:52 GMT 2025 , Edited by admin on Mon Mar 31 21:43:52 GMT 2025
PRIMARY
PUBCHEM
25063264
Created by admin on Mon Mar 31 21:43:52 GMT 2025 , Edited by admin on Mon Mar 31 21:43:52 GMT 2025
PRIMARY
CAS
113740-61-7
Created by admin on Mon Mar 31 21:43:52 GMT 2025 , Edited by admin on Mon Mar 31 21:43:52 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
ENANTIOMER -> RACEMATE
Related Record Type Details
PARENT -> IMPURITY