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Nilotinib-d6

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For Research Use Only | Not For Clinical Use
CATAPS1268356177
CAS1268356-17-7
SynonymsAMN 107-d6, Tasigna-d6,4-Methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzamide-d6
IUPAC Name2,3,6-trideuterio-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-4-(trideuteriomethyl)benzamide
Molecular Weight535.55
Molecular FormulaC282H6H16F3N7O
Canonical SMILES[2H]c1c([2H])c(c(Nc2nccc(n2)c3cccnc3)c([2H])c1C(=O)Nc4cc(cc(c4)C(F)(F)F)n5cnc(C)c5)C([2H])([2H])[2H]
InChIInChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)/i1D3,5D,6D,10D
Accurate Mass535.2215
FormatNeat
TypeStable Isotope Labelled
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