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Imatinib Para-diaminomethylbenzene Impurity-d3

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For Research Use Only | Not For Clinical Use
CATAPS1246819271
CAS1246819-27-1
Structure
IUPAC NameN-[3-methyl-4-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]-4-[[4-(trideuteriomethyl)piperazin-1-yl]methyl]benzamide
Molecular Weight496.62
Molecular FormulaC29D3H28N7O
Canonical SMILES[2H]C([2H])([2H])N1CCN(Cc2ccc(cc2)C(=O)Nc3ccc(Nc4nccc(n4)c5cccnc5)c(C)c3)CC1
InChIInChI=1S/C29H31N7O/c1-21-18-25(9-10-26(21)33-29-31-13-11-27(34-29)24-4-3-12-30-19-24)32-28(37)23-7-5-22(6-8-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)/i2D3
Accurate Mass496.2778
FormatNeat
SubcategoryAbl kinase inhibitors, Impurity standards, Stable isotope labelled compounds
TypeImpurity; Stable Isotope Labelled
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