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

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H21ClN2O2.ClH
Molecular Weight 381.296
Optical Activity ( - )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of De(carboxymethoxy)cetirizine acetic acid hydrochloride, (R)-

SMILES

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

InChI

InChIKey=VTGWDLPASRYLSI-FSRHSHDFSA-N
InChI=1S/C19H21ClN2O2.ClH/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);1H/t19-;/m1./s1

HIDE SMILES / InChI

Molecular Formula C19H21ClN2O2
Molecular Weight 344.835
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula ClH
Molecular Weight 36.461
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 Wed Apr 02 18:00:01 GMT 2025
Edited
by admin
on Wed Apr 02 18:00:01 GMT 2025
Record UNII
8A3Y2J4LE7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(R)-De(carboxymethoxy)cetirizine acetic acid hydrochloride
Preferred Name English
De(carboxymethoxy)cetirizine acetic acid hydrochloride, (R)-
Common Name English
1-Piperazineacetic acid, 4-[(R)-(4-chlorophenyl)phenylmethyl]-, hydrochloride (1:1)
Systematic Name English
2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]aceticacid hydrochloride
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID70747430
Created by admin on Wed Apr 02 18:00:01 GMT 2025 , Edited by admin on Wed Apr 02 18:00:01 GMT 2025
PRIMARY
PUBCHEM
71315235
Created by admin on Wed Apr 02 18:00:01 GMT 2025 , Edited by admin on Wed Apr 02 18:00:01 GMT 2025
PRIMARY
FDA UNII
8A3Y2J4LE7
Created by admin on Wed Apr 02 18:00:01 GMT 2025 , Edited by admin on Wed Apr 02 18:00:01 GMT 2025
PRIMARY
CAS
942132-30-1
Created by admin on Wed Apr 02 18:00:01 GMT 2025 , Edited by admin on Wed Apr 02 18:00:01 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE