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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H7F3INO2
Molecular Weight 393.0999
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(2-FLUORO-4-IODOANILINO)-3,4-DIFLUOROBENZOIC ACID

SMILES

OC(=O)C1=C(NC2=CC=C(I)C=C2F)C(F)=C(F)C=C1

InChI

InChIKey=REMYZOSCCVDLDL-UHFFFAOYSA-N
InChI=1S/C13H7F3INO2/c14-8-3-2-7(13(19)20)12(11(8)16)18-10-4-1-6(17)5-9(10)15/h1-5,18H,(H,19,20)

HIDE SMILES / InChI

Molecular Formula C13H7F3INO2
Molecular Weight 393.0999
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 15:17:16 GMT 2023
Edited
by admin
on Sat Dec 16 15:17:16 GMT 2023
Record UNII
5A6V9RGK6M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(2-FLUORO-4-IODOANILINO)-3,4-DIFLUOROBENZOIC ACID
Systematic Name English
3,4-DIFLUORO-2-(2-FLUORO-4-IODOPHENYLAMINO)BENZOIC ACID
Systematic Name English
G00038820
Code English
COBIMETINIB METABOLITE (G00038820)
Common Name English
BENZOIC ACID, 3,4-DIFLUORO-2-((2-FLUORO-4-IODOPHENYL)AMINO)-
Systematic Name English
3,4-DIFLUORO-2-((2-FLUORO-4-IODOPHENYL)AMINO)BENZOIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
5A6V9RGK6M
Created by admin on Sat Dec 16 15:17:16 GMT 2023 , Edited by admin on Sat Dec 16 15:17:16 GMT 2023
PRIMARY
PUBCHEM
22025663
Created by admin on Sat Dec 16 15:17:16 GMT 2023 , Edited by admin on Sat Dec 16 15:17:16 GMT 2023
PRIMARY
CAS
391211-97-5
Created by admin on Sat Dec 16 15:17:16 GMT 2023 , Edited by admin on Sat Dec 16 15:17:16 GMT 2023
PRIMARY
EPA CompTox
DTXSID90621703
Created by admin on Sat Dec 16 15:17:16 GMT 2023 , Edited by admin on Sat Dec 16 15:17:16 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE