Nilotinib N-oxide

cas: 1246817-85-5 — see every product listed under this CAS number, including other names

Nilotinib N-oxide (CAS 1246817-85-5) is a chemical reagent available from Chemat. Available pack sizes: 10mg, 5mg, 25mg, 50mg. Offered by: Biosynth.

brandBiosynth
catalog numberWZB81785-10mg
cas1246817-85-5
size10mg
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properties

categoryImpurities
purityNo data
delivery time3-4 Weeks
Structural formula: {0} (CAS {1})

4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(1-oxidopyridin-1-ium-3-yl)pyrimidin-2-yl]amino]benzamide (CAS 1246817-85-5) is a chemical compound with the molecular formula C28H22F3N7O2 and a molecular weight of 545.5 g/mol. IUPAC name: 4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(1-oxidopyridin-1-ium-3-yl)pyrimidin-2-yl]amino]benzamide. InChIKey: OGMQYIIDZDUGEY-UHFFFAOYSA-N.

Identity
Molecular formulaC28H22F3N7O2
Molecular weight545.5 g/mol
IUPAC name4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(1-oxidopyridin-1-ium-3-yl)pyrimidin-2-yl]amino]benzamide
InChIKeyOGMQYIIDZDUGEY-UHFFFAOYSA-N
SMILESCC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=C[N+](=CC=C5)[O-]

Computed by PubChem (NCBI)

Synonyms: Nilotinib N-Oxide, Nilotinib Impurity 10, Nilotinib metabolite P36, OGMQYIIDZDUGEY-UHFFFAOYSA-N
Isomers (same molecular formula)
4-methyl-N-[3-(4-methyl-3-oxidoimidazol-3-ium-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide C28H22F3N7O2
N-[3-[4-(hydroxymethyl)imidazol-1-yl]-5-(trifluoromethyl)phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide C28H22F3N7O2
4-(hydroxymethyl)-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide C28H22F3N7O2

Also listed as

3-(2-((2-Methyl-5-((3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)carbamoyl)phenyl)amino)pyrimidin-4-yl)pyridine 1-oxide, 98% Chemat Brand CAS 1246817-85-5
Nilotinib N-Oxide (Pyridine N-Oxide) Chemat Brand CAS 1246817-85-5
Nilotinib Impurity 10 Chemat Brand CAS 1246817-85-5
Nilotinib Impurity 8 Hubei YoungXin CAS 1246817-85-5
Nilotinib N-Oxide, >95% (HPLC) TRC CAS 1246817-85-5