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

Details

Stereochemistry RACEMIC
Molecular Formula C25H21Cl4N2O
Molecular Weight 507.259
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of 1-(4-CHLOROBENZYL)-3-((2RS)-2-((4-CHLOROBENZYL)OXY)-2-(2,4-DICHLOROPHENYL)ETHYL)IMIDAZOLIUM

SMILES

ClC1=CC=C(COC(C[N+]2=CN(CC3=CC=C(Cl)C=C3)C=C2)C4=CC=C(Cl)C=C4Cl)C=C1

InChI

InChIKey=OKEXFBIJQOQKDM-UHFFFAOYSA-N
InChI=1S/C25H21Cl4N2O/c26-20-5-1-18(2-6-20)14-30-11-12-31(17-30)15-25(23-10-9-22(28)13-24(23)29)32-16-19-3-7-21(27)8-4-19/h1-13,17,25H,14-16H2/q+1

HIDE SMILES / InChI

Molecular Formula C25H21Cl4N2O
Molecular Weight 507.259
Charge 1
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 Fri Dec 15 16:22:29 UTC 2023
Edited
by admin
on Fri Dec 15 16:22:29 UTC 2023
Record UNII
I25014E0X5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(4-CHLOROBENZYL)-3-((2RS)-2-((4-CHLOROBENZYL)OXY)-2-(2,4-DICHLOROPHENYL)ETHYL)IMIDAZOLIUM
Systematic Name English
ECONAZOLE IMPURITY C [EP IMPURITY]
Common Name English
ECONAZOLE NITRATE IMPURITY C [EP IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
129318615
Created by admin on Fri Dec 15 16:22:29 UTC 2023 , Edited by admin on Fri Dec 15 16:22:29 UTC 2023
PRIMARY
FDA UNII
I25014E0X5
Created by admin on Fri Dec 15 16:22:29 UTC 2023 , Edited by admin on Fri Dec 15 16:22:29 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP