N-Desmethyl Imatinib-d8

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For Research Use Only | Not For Clinical Use
CATAPS1185103289
CAS1185103-28-9
SynonymsN-Desmethyl Gleevec-d8
IUPAC NameN-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-[(2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl)methyl]benzamide
Molecular Weight487.63
Molecular FormulaC282H8H21N7O
Canonical SMILES[2H]C1([2H])NC([2H])([2H])C([2H])([2H])N(Cc2ccc(cc2)C(=O)Nc3ccc(C)c(Nc4nccc(n4)c5cccnc5)c3)C1([2H])[2H]
InChIInChI=1S/C28H29N7O/c1-20-4-9-24(17-26(20)34-28-31-12-10-25(33-28)23-3-2-11-30-18-23)32-27(36)22-7-5-21(6-8-22)19-35-15-13-29-14-16-35/h2-12,17-18,29H,13-16,19H2,1H3,(H,32,36)(H,31,33,34)/i13D2,14D2,15D2,16D2
Accurate Mass487.2936
FormatNeat
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