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Details

Stereochemistry ACHIRAL
Molecular Formula C29H24F3N7O
Molecular Weight 543.5435
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-DESMETHYLIMIDAZOLYL-4-ETHYLIMIDAZOLYL NILOTINIB

SMILES

CCc1cn(cn1)-c2cc(cc(c2)N=C(c3ccc(C)c(c3)Nc4nccc(-c5cccnc5)n4)O)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 543.5435
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 13:13:39 UTC 2021
Edited
by admin
on Sat Jun 26 13:13:39 UTC 2021
Record UNII
7P2NA8K11P
Record Status Validated (UNII)
Record Version
  • Download
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]
Common Name English
Code System Code Type Description
FDA UNII
7P2NA8K11P
Created by admin on Sat Jun 26 13:13:39 UTC 2021 , Edited by admin on Sat Jun 26 13:13:39 UTC 2021
PRIMARY
CAS
2119583-24-1
Created by admin on Sat Jun 26 13:13:39 UTC 2021 , Edited by admin on Sat Jun 26 13:13:39 UTC 2021
PRIMARY
PUBCHEM
89752750
Created by admin on Sat Jun 26 13:13:39 UTC 2021 , Edited by admin on Sat Jun 26 13:13:39 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP