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Imatinib Para-diaminomethylbenzene Impurity-[d3]

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General Information
Catalog: BLP-005863
CAS: 1246819-27-1
Molecular Formula: C29H28D3N7O
Molecular Weight: 496.62

Chemical Structure

Description	Imatinib Para-diaminomethylbenzene Impurity-[d3] is an isotope labelled compound of Imatinib para-Diaminomethylbenzene. Imatinib para-Diaminomethylbenzene is an impurity of Imatinib, a tyrosine kinase inhibitor. It is a COVID-19-related research product.
Synonyms	4-[(4-Methyl-1-piperazinyl)methyl]-N-[5-methyl-4-[(4-pyridinyl)-2-pyrimidinylamino]phenyl]benzamide-d3
IUPAC Name	4,5,6-trideuterio-4-[(4-methylpiperazin-1-yl)methyl]-N-[3-methyl-4-[pyridin-4-yl(pyrimidin-2-yl)amino]phenyl]cyclohexa-1,3,5-triene-1-carboxamide
Related CAS	1026753-54-7 (unlabelled)
Canonical SMILES	CC1=C(C=CC(=C1)NC(=O)C2=CC=[CH](C=C2)CN3CCN(CC3)C)N(C4=CC=NC=C4)C5=NC=CC=N5
InChI	InChI=1S/C29H32N7O/c1-22-20-25(8-9-27(22)36(26-10-14-30-15-11-26)29-31-12-3-13-32-29)33-28(37)24-6-4-23(5-7-24)21-35-18-16-34(2)17-19-35/h3-15,20,23H,16-19,21H2,1-2H3,(H,33,37)/i4D,6D,23D
InChI Key	MZORUGAGESOQBX-CYODAYRDSA-N