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

Details

Stereochemistry RACEMIC
Molecular Formula C23H29ClN2O4
Molecular Weight 432.94
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(2-(2-(4-((4-CHLOROPHENYL)PHENYLMETHYL)PIPERAZIN-1-YL)ETHOXY)ETHOXY)ACETIC ACID

SMILES

OC(=O)COCCOCCN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=C(Cl)C=C3

InChI

InChIKey=AIOFDOGAYXDHHG-UHFFFAOYSA-N
InChI=1S/C23H29ClN2O4/c24-21-8-6-20(7-9-21)23(19-4-2-1-3-5-19)26-12-10-25(11-13-26)14-15-29-16-17-30-18-22(27)28/h1-9,23H,10-18H2,(H,27,28)

HIDE SMILES / InChI

Molecular Formula C23H29ClN2O4
Molecular Weight 432.94
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 06:04:29 UTC 2023
Edited
by admin
on Sat Dec 16 06:04:29 UTC 2023
Record UNII
S9EW59C6GN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(2-(2-(4-((4-CHLOROPHENYL)PHENYLMETHYL)PIPERAZIN-1-YL)ETHOXY)ETHOXY)ACETIC ACID
Systematic Name English
(±)-2-(2-(2-(4-((4-CHLOROPHENYL)PHENYLMETHYL)PIPERAZIN-1-YL)ETHOXY)ETHOXY)ACETIC ACID
Systematic Name English
CETIRIZINE DIHYDROCHLORIDE IMPURITY E [EP IMPURITY]
Common Name English
ACETIC ACID, 2-(2-(2-(4-((4-CHLOROPHENYL)PHENYLMETHYL)-1-PIPERAZINYL)ETHOXY)ETHOXY)-
Common Name English
CETIRIZINE IMPURITY E
Common Name English
ETHOXYCETIRIZINE
Common Name English
(RS)-2-(2-(2-(4-((4-CHLOROPHENYL)PHENYLMETHYL)PIPERAZIN-1-YL)ETHOXY)ETHOXY)ACETIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
S9EW59C6GN
Created by admin on Sat Dec 16 06:04:30 UTC 2023 , Edited by admin on Sat Dec 16 06:04:30 UTC 2023
PRIMARY
CAS
682323-77-9
Created by admin on Sat Dec 16 06:04:30 UTC 2023 , Edited by admin on Sat Dec 16 06:04:30 UTC 2023
PRIMARY
PUBCHEM
3068854
Created by admin on Sat Dec 16 06:04:30 UTC 2023 , Edited by admin on Sat Dec 16 06:04:30 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
For the calculation of content, multiply the peak areas by 1.3
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP