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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H8F3N2O2.Na
Molecular Weight 304.1998
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TRIFLOCIN SODIUM

SMILES

[Na+].[O-]C(=O)C1=CN=CC=C1NC2=CC=CC(=C2)C(F)(F)F

InChI

InChIKey=YOUXBFJNMBEOPV-UHFFFAOYSA-M
InChI=1S/C13H9F3N2O2.Na/c14-13(15,16)8-2-1-3-9(6-8)18-11-4-5-17-7-10(11)12(19)20;/h1-7H,(H,17,18)(H,19,20);/q;+1/p-1

HIDE SMILES / InChI

Approval Year

Name Type Language
TRIFLOCIN SODIUM
Common Name English
3-PYRIDINECARBOXYLIC ACID, 4-((3-(TRIFLUOROMETHYL)PHENYL)AMINO)-, SODIUM SALT (1:1)
Common Name English
Code System Code Type Description
FDA UNII
C391E67F4Z
Created by admin on Fri Dec 15 15:20:10 UTC 2023 , Edited by admin on Fri Dec 15 15:20:10 UTC 2023
PRIMARY
CAS
13856-39-8
Created by admin on Fri Dec 15 15:20:10 UTC 2023 , Edited by admin on Fri Dec 15 15:20:10 UTC 2023
PRIMARY
EPA CompTox
DTXSID80160712
Created by admin on Fri Dec 15 15:20:10 UTC 2023 , Edited by admin on Fri Dec 15 15:20:10 UTC 2023
PRIMARY
PUBCHEM
71586970
Created by admin on Fri Dec 15 15:20:10 UTC 2023 , Edited by admin on Fri Dec 15 15:20:10 UTC 2023
PRIMARY