Products 1807606-80-9

CAS 1807606-80-9 appears in our catalog under these names: Nilotinib Impurity 27, Nilotinib Metabolite 2. Offered by: Chemat Brand, TRC. Available pack sizes: on request, 25mg.

Nilotinib Impurity 27
Chemat Brand
  • size: on request
  • Variants: 1
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Nilotinib Metabolite 2
TRC
  • size: 25mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

N-[3-[4-(hydroxymethyl)imidazol-1-yl]-5-(trifluoromethyl)phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide (CAS 1807606-80-9) is a chemical compound with the molecular formula C28H22F3N7O2 and a molecular weight of 545.5 g/mol. IUPAC name: N-[3-[4-(hydroxymethyl)imidazol-1-yl]-5-(trifluoromethyl)phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide. InChIKey: OQMQONVXVZOOAL-UHFFFAOYSA-N.

Identity
Molecular formulaC28H22F3N7O2
Molecular weight545.5 g/mol
IUPAC nameN-[3-[4-(hydroxymethyl)imidazol-1-yl]-5-(trifluoromethyl)phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
InChIKeyOQMQONVXVZOOAL-UHFFFAOYSA-N
SMILESCC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)CO)NC4=NC=CC(=N4)C5=CN=CC=C5

Computed by PubChem (NCBI)

Synonyms: Nilotinib Metabolite 2, OQMQONVXVZOOAL-UHFFFAOYSA-N
Isomers (same molecular formula)
4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(1-oxidopyridin-1-ium-3-yl)pyrimidin-2-yl]amino]benzamide C28H22F3N7O2
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
4-(hydroxymethyl)-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide C28H22F3N7O2