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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H21ClN2O2
Molecular Weight 344.835
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of De(carboxymethoxy) Cetirizine Acetic Acid, (S)-

SMILES

OC(=O)CN1CCN(CC1)[C@@H](C2=CC=CC=C2)C3=CC=C(Cl)C=C3

InChI

InChIKey=NBQBQRKLQXVPIS-IBGZPJMESA-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)/t19-/m0/s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
De(carboxymethoxy) Cetirizine Acetic Acid, (S)-
Common Name English
1-Piperazineacetic acid, 4-[(S)-(4-chlorophenyl)phenylmethyl]-
Preferred Name English
4-[(S)-(4-Chlorophenyl)phenylmethyl]-1-piperazineacetic acid
Systematic Name English
Code System Code Type Description
FDA UNII
NPG6UC7PBB
Created by admin on Wed Apr 02 18:40:01 GMT 2025 , Edited by admin on Wed Apr 02 18:40:01 GMT 2025
PRIMARY
CAS
942193-18-2
Created by admin on Wed Apr 02 18:40:01 GMT 2025 , Edited by admin on Wed Apr 02 18:40:01 GMT 2025
PRIMARY
PUBCHEM
76969979
Created by admin on Wed Apr 02 18:40:01 GMT 2025 , Edited by admin on Wed Apr 02 18:40:01 GMT 2025
PRIMARY
NIH
NCATS
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