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Chemical structure of Imatinib D8

GC39612

Imatinib D8

Also known as 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

Imatinib D8 (STI571 D8) is a deuterium labeled Imatinib (STI571)· Imatinib is an orally bioavailable tyrosine kinases inhibitor that selectively inhibits BCR/ABL, v-Abl, PDGFR and c-kit kinase activity

ChemicalCAS1092942-82-9MW501.65FormulaC29H23D8N7O
CAS number
1092942-82-9
Molecular weight
501.65
Formula
C29H23D8N7O
Solubility
Soluble in DMSO
InChIKey
KTUFNOKKBVMGRW-AZGHYOHESA-N
Catalogue number
GC39612
Brand
GLPBIO
Computed properties PubChem CID 25235773 · XLogP 3.5 · TPSA 86.3 Ų · H-bond donors 2
XLogP
3.5
TPSA
86.3 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
37

SMILES [2H]C1(C(N(C(C(N1C)([2H])[2H])([2H])[2H])CC2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5)([2H])[2H])[2H]

Computed descriptors from PubChem (CID 25235773), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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