4-DESMETHYLIMIDAZOLYL-4-ETHYLIMIDAZOLYL NILOTINIB

Details

Stereochemistry	ACHIRAL
Molecular Formula	C29H24F3N7O
Molecular Weight	543.5424
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-DESMETHYLIMIDAZOLYL-4-ETHYLIMIDAZOLYL NILOTINIB

Structure Search

SMILES

CCC1=CN(C=N1)C2=CC(NC(=O)C3=CC(NC4=NC(=CC=N4)C5=CC=CN=C5)=C(C)C=C3)=CC(=C2)C(F)(F)F

InChI

InChIKey=FTJOKDORVFENBC-UHFFFAOYSA-N

InChI=1S/C29H24F3N7O/c1-3-22-16-39(17-35-22)24-13-21(29(30,31)32)12-23(14-24)36-27(40)19-7-6-18(2)26(11-19)38-28-34-10-8-25(37-28)20-5-4-9-33-15-20/h4-17H,3H2,1-2H3,(H,36,40)(H,34,37,38)

HIDE SMILES / InChI

Molecular Formula	C29H24F3N7O
Molecular Weight	543.5424
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 11:01:11 UTC 2023` Edited by `admin` on `Sat Dec 16 11:01:11 UTC 2023`
Record UNII	7P2NA8K11P
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-DESMETHYLIMIDAZOLYL-4-ETHYLIMIDAZOLYL NILOTINIB

Common Name

English

N-(3-(4-ETHYL-1H-IMIDAZOL-1-YL)-5-(TRIFLUOROMETHYL)PHENYL)-4-METHYL-3-((4-(PYRIDIN-3-YL)PYRIMIDIN-2-YL)AMINO)BENZAMIDE

Systematic Name

English

NILOTINIB HYDROCHLORIDE MONOHYDRATE IMPURITY F [EP IMPURITY]

Common Name

English

Code System Code Type Description

FDA UNII

7P2NA8K11P

Created by admin on Sat Dec 16 11:01:11 UTC 2023 , Edited by admin on Sat Dec 16 11:01:11 UTC 2023

PRIMARY

CAS

2119583-24-1

Created by admin on Sat Dec 16 11:01:11 UTC 2023 , Edited by admin on Sat Dec 16 11:01:11 UTC 2023

PRIMARY

PUBCHEM

89752750

Created by admin on Sat Dec 16 11:01:11 UTC 2023 , Edited by admin on Sat Dec 16 11:01:11 UTC 2023

PRIMARY

Related Record Type Details


					5JHU0N1R6K

NILOTINIB HYDROCHLORIDE MONOHYDRATE

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount: