Products 1807608-52-1

CAS 1807608-52-1 is the registry number for Nilotinib Metabolite 4. Offered by: TRC. Available pack sizes: 25mg.

Nilotinib Metabolite 4
TRC
  • size: 25mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

4-(hydroxymethyl)-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide (CAS 1807608-52-1) is a chemical compound with the molecular formula C28H22F3N7O2 and a molecular weight of 545.5 g/mol. IUPAC name: 4-(hydroxymethyl)-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide. InChIKey: AURUKBMJPHGMEG-UHFFFAOYSA-N.

Identity
Molecular formulaC28H22F3N7O2
Molecular weight545.5 g/mol
IUPAC name4-(hydroxymethyl)-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
InChIKeyAURUKBMJPHGMEG-UHFFFAOYSA-N
SMILESCC1=CN(C=N1)C2=CC(=CC(=C2)NC(=O)C3=CC(=C(C=C3)CO)NC4=NC=CC(=N4)C5=CN=CC=C5)C(F)(F)F

Computed by PubChem (NCBI)

Synonyms: Nilotinib Metabolite 4, AURUKBMJPHGMEG-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
N-[3-[4-(hydroxymethyl)imidazol-1-yl]-5-(trifluoromethyl)phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide C28H22F3N7O2