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

Details

Stereochemistry UNKNOWN
Molecular Formula C19H17F6N7O2
Molecular Weight 489.3744
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AGI-17011

SMILES

CC(O)(CO)CNC1=NC(NC2=CC(=NC=C2)C(F)(F)F)=NC(=N1)C3=NC(=CC=C3)C(F)(F)F

InChI

InChIKey=SMJJXIFZXFCVIW-UHFFFAOYSA-N
InChI=1S/C19H17F6N7O2/c1-17(34,9-33)8-27-15-30-14(11-3-2-4-12(29-11)18(20,21)22)31-16(32-15)28-10-5-6-26-13(7-10)19(23,24)25/h2-7,33-34H,8-9H2,1H3,(H2,26,27,28,30,31,32)

HIDE SMILES / InChI

Molecular Formula C19H17F6N7O2
Molecular Weight 489.3744
Charge 0
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 Sat Dec 16 14:11:31 GMT 2023
Edited
by admin
on Sat Dec 16 14:11:31 GMT 2023
Record UNII
BPS4D3VDI2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AGI-17011
Code English
ENASIDENIB METABOLITE M2
Common Name English
2-METHYL-3-((4-(6-(TRIFLUOROMETHYL)PYRIDIN-2-YL)-6-((2-(TRIFLUOROMETHYL)PYRIDIN-4-YL)AMINO)-1,3,5-TRIAZIN-2-YL)AMINO)PROPANE-1,2-DIOL
Systematic Name English
Code System Code Type Description
PUBCHEM
133083019
Created by admin on Sat Dec 16 14:11:31 GMT 2023 , Edited by admin on Sat Dec 16 14:11:31 GMT 2023
PRIMARY
FDA UNII
BPS4D3VDI2
Created by admin on Sat Dec 16 14:11:31 GMT 2023 , Edited by admin on Sat Dec 16 14:11:31 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE ACTIVE