BEJ-866

Details

Stereochemistry	ACHIRAL
Molecular Formula	C28H22F3N7O2
Molecular Weight	545.5152
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=CN(C=N1)C2=CC(=CC(NC(=O)C3=CC=C(C)C(NC4=NC=CC(=N4)C5=CC=C[N+]([O-])=C5)=C3)=C2)C(F)(F)F

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	545.5152
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 10:39:49 UTC 2023` Edited by `admin` on `Sat Dec 16 10:39:49 UTC 2023`
Record UNII	64944G3T8B
Record Status	`Validated (UNII)`
Record Version

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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 Dec 16 10:39:49 UTC 2023 , Edited by admin on Sat Dec 16 10:39:49 UTC 2023

PRIMARY

CAS

1246817-85-5

Created by admin on Sat Dec 16 10:39:49 UTC 2023 , Edited by admin on Sat Dec 16 10:39:49 UTC 2023

PRIMARY

EPA CompTox

DTXSID80858167

Created by admin on Sat Dec 16 10:39:49 UTC 2023 , Edited by admin on Sat Dec 16 10:39:49 UTC 2023

PRIMARY

PUBCHEM

71750948

Created by admin on Sat Dec 16 10:39:49 UTC 2023 , Edited by admin on Sat Dec 16 10:39:49 UTC 2023

PRIMARY

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