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Details

Stereochemistry ACHIRAL
Molecular Formula C28H22F3N7O2
Molecular Weight 545.5162
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BEJ-866

SMILES

Cc1ccc(cc1Nc2nccc(-c3cccn(=O)c3)n2)C(=Nc4cc(cc(c4)-n5cc(C)nc5)C(F)(F)F)O

InChI

InChIKey=OGMQYIIDZDUGEY-UHFFFAOYSA-N
InChI=1S/C28H22F3N7O2/c1-17-5-6-19(10-25(17)36-27-32-8-7-24(35-27)20-4-3-9-38(40)15-20)26(39)34-22-11-21(28(29,30)31)12-23(13-22)37-14-18(2)33-16-37/h3-16H,1-2H3,(H,34,39)(H,32,35,36)

HIDE SMILES / InChI

Molecular Formula C28H22F3N7O2
Molecular Weight 545.5162
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 Jun 26 06:44:29 UTC 2021
Edited
by admin
on Sat Jun 26 06:44:29 UTC 2021
Record UNII
64944G3T8B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BEJ-866
Common Name English
BENZAMIDE, 4-METHYL-N-(3-(4-METHYL-1H-IMIDAZOL-1-YL)-5-(TRIFLUOROMETHYL)PHENYL)-3-((4-(1-OXIDO-3-PYRIDINYL)-2-PYRIMIDINYL)AMINO)-
Systematic Name English
4-METHYL-N-(3-(4-METHYL-1H-IMIDAZOL-1-YL)-5-(TRIFLUOROMETHYL)PHENYL)-3-((4-(3-PYRIDINYL-N-OXIDE)-2-PYRIMIDINYL)AMINO)BENZAMIDE
Systematic Name English
NILOTINIB METABOLITE P36
Common Name English
NILOTINIB N-OXIDE
Common Name English
BEJ866
Code English
Code System Code Type Description
FDA UNII
64944G3T8B
Created by admin on Sat Jun 26 06:44:29 UTC 2021 , Edited by admin on Sat Jun 26 06:44:29 UTC 2021
PRIMARY
CAS
1246817-85-5
Created by admin on Sat Jun 26 06:44:29 UTC 2021 , Edited by admin on Sat Jun 26 06:44:29 UTC 2021
PRIMARY
EPA CompTox
1246817-85-5
Created by admin on Sat Jun 26 06:44:29 UTC 2021 , Edited by admin on Sat Jun 26 06:44:29 UTC 2021
PRIMARY
PUBCHEM
71750948
Created by admin on Sat Jun 26 06:44:29 UTC 2021 , Edited by admin on Sat Jun 26 06:44:29 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE ACTIVE