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Nilotinib-d3

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For Research Use Only | Not For Clinical Use
CATAPS1215678435
CAS1215678-43-5
SynonymsAMN 107-d3,4-Methyl-N-[3-(4-(methyl-d3)-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzamide, Tasigna-d3
IUPAC Name4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-N-[3-[4-(trideuteriomethyl)imidazol-1-yl]-5-(trifluoromethyl)phenyl]benzamide
Molecular Weight532.53
Molecular FormulaC282H3H19F3N7O
Canonical SMILES[2H]C([2H])([2H])c1cn(cn1)c2cc(NC(=O)c3ccc(C)c(Nc4nccc(n4)c5cccnc5)c3)cc(c2)C(F)(F)F
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)/i2D3
Accurate Mass532.2026
FormatNeat
TypeStable Isotope Labelled
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