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

Details

Stereochemistry ACHIRAL
Molecular Formula C32H26F6N2O5
Molecular Weight 632.5497
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,2′-oxybis(ethylene) bis[2-[[3-(trifluoromethyl)phenyl]amino]benzoate]

SMILES

FC(F)(F)C1=CC=CC(NC2=C(C=CC=C2)C(=O)OCCOCCOC(=O)C3=C(NC4=CC(=CC=C4)C(F)(F)F)C=CC=C3)=C1

InChI

InChIKey=KKGKTVVZWJTHAO-UHFFFAOYSA-N
InChI=1S/C32H26F6N2O5/c33-31(34,35)21-7-5-9-23(19-21)39-27-13-3-1-11-25(27)29(41)44-17-15-43-16-18-45-30(42)26-12-2-4-14-28(26)40-24-10-6-8-22(20-24)32(36,37)38/h1-14,19-20,39-40H,15-18H2

HIDE SMILES / InChI

Molecular Formula C32H26F6N2O5
Molecular Weight 632.5497
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 Sat Dec 16 19:56:53 GMT 2023
Edited
by admin
on Sat Dec 16 19:56:53 GMT 2023
Record UNII
BJ3Y6FH3ZZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,2′-oxybis(ethylene) bis[2-[[3-(trifluoromethyl)phenyl]amino]benzoate]
Systematic Name English
ETOFENAMATE IMPURITY D [EP IMPURITY]
Common Name English
Benzoic acid, 2-[[3-(trifluoromethyl)phenyl]amino]-, oxydi-2,1-ethanediyl ester
Systematic Name English
Code System Code Type Description
PUBCHEM
129318388
Created by admin on Sat Dec 16 19:56:53 GMT 2023 , Edited by admin on Sat Dec 16 19:56:53 GMT 2023
PRIMARY
FDA UNII
BJ3Y6FH3ZZ
Created by admin on Sat Dec 16 19:56:53 GMT 2023 , Edited by admin on Sat Dec 16 19:56:53 GMT 2023
PRIMARY
CAS
64352-84-7
Created by admin on Sat Dec 16 19:56:53 GMT 2023 , Edited by admin on Sat Dec 16 19:56:53 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY