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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H5F3N2O2
Molecular Weight 230.1434
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LILLY-72525

SMILES

FC(F)(F)C1=CC2=C(NC(=O)C(=O)N2)C=C1

InChI

InChIKey=BQNVOJRAHONGMT-UHFFFAOYSA-N
InChI=1S/C9H5F3N2O2/c10-9(11,12)4-1-2-5-6(3-4)14-8(16)7(15)13-5/h1-3H,(H,13,15)(H,14,16)

HIDE SMILES / InChI

Molecular Formula C9H5F3N2O2
Molecular Weight 230.1434
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 05:12:43 GMT 2023
Edited
by admin
on Sat Dec 16 05:12:43 GMT 2023
Record UNII
1E2J6F4YVI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LILLY-72525
Common Name English
1,4-DIHYDRO-6-TRIFLUOROMETHYL QUINOXALINE-2,3-DIONE
Systematic Name English
2,3-QUINOXALINEDIONE, 1,4-DIHYDRO-6-(TRIFLUOROMETHYL)-
Systematic Name English
2,3-DIHYDROXY-6-(TRIFLUOROMETHYL)QUINOXALINE
Systematic Name English
6-TRIFLUOROMETHYL-1,4-DIHYDRO-2,3-QUINOXALINEDIONE
Systematic Name English
6-(TRIFLUOROMETHYL)-2,3-QUINOXALINEDIOL
Systematic Name English
Code System Code Type Description
PUBCHEM
191382
Created by admin on Sat Dec 16 05:12:43 GMT 2023 , Edited by admin on Sat Dec 16 05:12:43 GMT 2023
PRIMARY
CAS
55687-31-5
Created by admin on Sat Dec 16 05:12:43 GMT 2023 , Edited by admin on Sat Dec 16 05:12:43 GMT 2023
PRIMARY
FDA UNII
1E2J6F4YVI
Created by admin on Sat Dec 16 05:12:43 GMT 2023 , Edited by admin on Sat Dec 16 05:12:43 GMT 2023
PRIMARY
EPA CompTox
DTXSID80204206
Created by admin on Sat Dec 16 05:12:43 GMT 2023 , Edited by admin on Sat Dec 16 05:12:43 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY