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

Details

Stereochemistry RACEMIC
Molecular Formula C19H21ClN2O2.2ClH
Molecular Weight 417.757
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of De(carboxymethoxy) Cetirizine Acetic Acid Dihydrochloride

SMILES

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

InChI

InChIKey=LSPZEDLYSAUAQV-UHFFFAOYSA-N
InChI=1S/C19H21ClN2O2.2ClH/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);2*1H

HIDE SMILES / InChI

Approval Year

Unknown
149124
Patents

Patents

20080004289
6
20090227595
6
20120195985
6
Name Type Language
De(carboxymethoxy) Cetirizine Acetic Acid Dihydrochloride
Common Name English
Cetirizine Impurity B dihydrochloride
Preferred Name English
1-Piperazineacetic acid, 4-[(4-chlorophenyl)phenylmethyl]-, hydrochloride (1:2)
Systematic Name English
2-(4-((4-Chlorophenyl)(phenyl)methyl)piperazin-1-yl)acetic acid dihydrochloride
Systematic Name English
(RS)-2-[4-[(4-Chlorophenyl)phenylmethyl]piperazin-1-yl]acetic Acid Dihydrochloride
Systematic Name English
Code System Code Type Description
PUBCHEM
68928581
Created by admin on Wed Apr 02 18:53:41 GMT 2025 , Edited by admin on Wed Apr 02 18:53:41 GMT 2025
PRIMARY
CAS
1000690-91-4
Created by admin on Wed Apr 02 18:53:41 GMT 2025 , Edited by admin on Wed Apr 02 18:53:41 GMT 2025
PRIMARY
FDA UNII
AF4TL84SZA
Created by admin on Wed Apr 02 18:53:41 GMT 2025 , Edited by admin on Wed Apr 02 18:53:41 GMT 2025
PRIMARY
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966