Imatinib (Pyridine)-N-oxide
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Documentation
Safety Data Sheet
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Product Information
Analyte Name
Imatinib (Pyridine)-N-oxide
CAS Number
571186-92-0
Molecular Formula
C29 H31 N7 O2
Molecular Weight
509.60
Accurate Mass
509.2539
SMILES
CN1CCN(Cc2ccc(cc2)C(=O)Nc3ccc(C)c(Nc4nccc(n4)c5ccc[n+]([O-])c5)c3)CC1
InChI
InChI=1S/C29H31N7O2/c1-21-5-10-25(18-27(21)33-29-30-12-11-26(32-29)24-4-3-13-36(38)20-24)31-28(37)23-8-6-22(7-9-23)19-35-16-14-34(2)15-17-35/h3-13,18,20H,14-17,19H2,1-2H3,(H,31,37)(H,30,32,33)
IUPAC
N-[4-methyl-3-[[4-(1-oxidopyridin-1-ium-3-yl)pyrimidin-2-yl]amino]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
Country of Origin
CANADA
Product Type
Impurity
Product Format
Neat
Impurity Type
Intermediate