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Imatinib-[d3]

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General Information
Catalog: BLP-012390
CAS: 1134803-18-1
Molecular Formula: C29H28D3N7O
Molecular Weight: 496.62

Chemical Structure

Description	Imatinib-[d3] is the labelled analogue of Imatinib. Imatinib can be used for the treatment of chronic myelogenous leukemia and acute lymphocytic leukemia.
Synonyms	Imatinib D3; Genfatinib-d3; 4-[[4-(methyl-d3)-1-piperazinyl]methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide
IUPAC Name	N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-[[4-(trideuteriomethyl)piperazin-1-yl]methyl]benzamide
Related CAS	152459-95-5 (unlabelled)
Canonical SMILES	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5
InChI	InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)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
InChI Key	KTUFNOKKBVMGRW-BMSJAHLVSA-N
Melting Point	>195°C (dec.)
Purity	95% by HPLC; 99% atom D
Density	1.3±0.1 g/cm3
Solubility	Soluble in DMSO, Methanol
Appearance	White to Pale Yellow Solid
Storage	Store at -20°C