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Imatinib Meta-methyl-piperazine Impurity-[d3]

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General Information
Catalog: BLP-005864
CAS: 1246815-35-9
Molecular Formula: C29H28D3N7O
Molecular Weight: 496.63

Chemical Structure

Description	Imatinib Meta-methyl-piperazine Impurity-[d3] is a labelled analogue of Imatinib Meta-methyl-piperazine Impurity. It is a COVID-19-related research product.
Synonyms	N-(4-methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)phenyl)-3-((4-(methyl-d3)piperazin-1-yl)methyl)benzamide; Imatinib Meta-methyl-piperazine Impurity D3
IUPAC Name	2,3,4-trideuterio-3-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[pyridin-4-yl(pyrimidin-2-yl)amino]phenyl]cyclohexa-1,3,5-triene-1-carboxamide
Related CAS	1246819-59-9 (unlabelled)
Canonical SMILES	CC1=C(C=C(C=C1)NC(=O)C2=C[CH](=CC=C2)CN3CCN(CC3)C)N(C4=CC=NC=C4)C5=NC=CC=N5
InChI	InChI=1S/C29H32N7O/c1-22-7-8-25(20-27(22)36(26-9-13-30-14-10-26)29-31-11-4-12-32-29)33-28(37)24-6-3-5-23(19-24)21-35-17-15-34(2)16-18-35/h3-14,19-20,23H,15-18,21H2,1-2H3,(H,33,37)/i5D,19D,23D
InChI Key	YWDVGHSXNOHCDZ-IKHOQHHESA-N