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Details

Stereochemistry RACEMIC
Molecular Formula C21H25ClN2O3
Molecular Weight 388.888
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-CHLOROCETIRIZINE

SMILES

OC(=O)COCCN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC(Cl)=C3

InChI

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

HIDE SMILES / InChI

Molecular Formula C21H25ClN2O3
Molecular Weight 388.888
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 Sat Dec 16 05:52:57 UTC 2023
Edited
by admin
on Sat Dec 16 05:52:57 UTC 2023
Record UNII
1F63N9S45M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-CHLOROCETIRIZINE
Common Name English
2-(2-(4-((3-CHLOROPHENYL)PHENYLMETHYL)PIPERAZIN-1-YL)ETHOXY)ACETIC ACID
Systematic Name English
(±)-3-CHLOROCETIRIZINE
Common Name English
ACETIC ACID, 2-(2-(4-((3-CHLOROPHENYL)PHENYLMETHYL)-1-PIPERAZINYL)ETHOXY)-
Common Name English
Code System Code Type Description
PUBCHEM
71314701
Created by admin on Sat Dec 16 05:52:57 UTC 2023 , Edited by admin on Sat Dec 16 05:52:57 UTC 2023
PRIMARY
CAS
1232460-31-9
Created by admin on Sat Dec 16 05:52:57 UTC 2023 , Edited by admin on Sat Dec 16 05:52:57 UTC 2023
PRIMARY
EPA CompTox
DTXSID501151554
Created by admin on Sat Dec 16 05:52:57 UTC 2023 , Edited by admin on Sat Dec 16 05:52:57 UTC 2023
PRIMARY
FDA UNII
1F63N9S45M
Created by admin on Sat Dec 16 05:52:57 UTC 2023 , Edited by admin on Sat Dec 16 05:52:57 UTC 2023
PRIMARY