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Imatinib-[d8]

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General Information
Catalog: BLP-012391
CAS: 1092942-82-9
Molecular Formula: C29H23D8N7O
Molecular Weight: 501.65

Chemical Structure

Description	Imatinib-[d8] is the labelled analogue of Imatinib, a treatment of chronic myeloid leukemia.
Synonyms	Imatinib D8; 4-[(4-Methyl-1-piperazinyl-2,2,3,3,5,5,6,6-d8)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide; Genfatinib-d8
IUPAC Name	N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-[(2,2,3,3,5,5,6,6-octadeuterio-4-methylpiperazin-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)/i14D2,15D2,16D2,17D2
InChI Key	KTUFNOKKBVMGRW-AZGHYOHESA-N
Melting Point	>169°C (dec.)
Purity	95% by HPLC; 95% atom D
Solubility	Soluble in DMSO, Methanol
Appearance	Off-white to Light Yellow Solid
Storage	Store at -20°C