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Details

Stereochemistry ACHIRAL
Molecular Formula C15H9F6N7
Molecular Weight 401.2693
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AGI-16903

SMILES

NC1=NC(=NC(NC2=CC(=NC=C2)C(F)(F)F)=N1)C3=CC=CC(=N3)C(F)(F)F

InChI

InChIKey=PBSZKXPXOCSCCC-UHFFFAOYSA-N
InChI=1S/C15H9F6N7/c16-14(17,18)9-3-1-2-8(25-9)11-26-12(22)28-13(27-11)24-7-4-5-23-10(6-7)15(19,20)21/h1-6H,(H3,22,23,24,26,27,28)

HIDE SMILES / InChI

Molecular Formula C15H9F6N7
Molecular Weight 401.2693
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Oct 21 21:27:52 UTC 2019
Edited
by admin
on Mon Oct 21 21:27:52 UTC 2019
Record UNII
I9T48NEM1K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AGI-16903
Code English
ENASIDENIB METABOLITE M1
Common Name English
1,3,5-TRIAZINE-2,4-DIAMINE, N2-(2-(TRIFLUOROMETHYL)-4-PYRIDINYL)-6-(6-(TRIFLUOROMETHYL)-2-PYRIDINYL)-
Systematic Name English
6-(6-(TRIFLUOROMETHYL)PYRIDIN-2-YL)-N-(2-(TRIFLUOROMETHYL)PYRIDIN-4-YL)-1,3,5-TRIAZINE-2,4-DIAMINE
Systematic Name English
Code System Code Type Description
PUBCHEM
86582944
Created by admin on Mon Oct 21 21:27:52 UTC 2019 , Edited by admin on Mon Oct 21 21:27:52 UTC 2019
PRIMARY
CAS
1643852-84-9
Created by admin on Mon Oct 21 21:27:52 UTC 2019 , Edited by admin on Mon Oct 21 21:27:52 UTC 2019
PRIMARY
Related Record Type Details
TRANSPORTER -> SUBSTRATE
TRANSPORTER -> SUBSTRATE
Related Record Type Details
PARENT -> METABOLITE ACTIVE