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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H25ClN2O3
Molecular Weight 388.8885
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CETIRIZINE, (S)-

SMILES

c1ccc(cc1)[C@@]([H])(c2ccc(cc2)Cl)N3CCN(CC3)CCOCC(=O)O

InChI

InChIKey=ZKLPARSLTMPFCP-NRFANRHFSA-N
InChI=1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)/t21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H25ClN2O3
Molecular Weight 388.8885
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Jun 25 22:46:29 UTC 2021
Edited
by admin
on Fri Jun 25 22:46:29 UTC 2021
Record UNII
V57G6B5I8Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CETIRIZINE, (S)-
Common Name English
DEXTROCETIRIZINE
Common Name English
2-(2-(4-((S)-(4-CHLOROPHENYL)PHENYLMETHYL)-1-PIPERAZINYL)ETHOXY)ACETIC ACID
Systematic Name English
ACETIC ACID, 2-(2-(4-((S)-(4-CHLOROPHENYL)PHENYLMETHYL)-1-PIPERAZINYL)ETHOXY)-
Systematic Name English
(S)-CETIRIZINE
Common Name English
ACETIC ACID, (2-(4-((4-CHLOROPHENYL)PHENYLMETHYL)-1-PIPERAZINYL)ETHOXY)-, (S)-
Systematic Name English
(+)-CETIRIZINE
Common Name English
ACETIC ACID, (2-(4-((S)-(4-CHLOROPHENYL)PHENYLMETHYL)-1-PIPERAZINYL)ETHOXY)-
Systematic Name English
Code System Code Type Description
PUBCHEM
150716
Created by admin on Fri Jun 25 22:46:29 UTC 2021 , Edited by admin on Fri Jun 25 22:46:29 UTC 2021
PRIMARY
FDA UNII
V57G6B5I8Z
Created by admin on Fri Jun 25 22:46:29 UTC 2021 , Edited by admin on Fri Jun 25 22:46:29 UTC 2021
PRIMARY
CAS
130018-76-7
Created by admin on Fri Jun 25 22:46:29 UTC 2021 , Edited by admin on Fri Jun 25 22:46:29 UTC 2021
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER