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Chemical structure of Imatinib D4

GC60930

Imatinib D4

Also known as 2,3,5,6-tetradeuterio-4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide

Imatinib D4 (STI571 D4) 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

ChemicalCAS1134803-16-9MW497.63FormulaC29H27D4N7O
CAS number
1134803-16-9
Molecular weight
497.63
Formula
C29H27D4N7O
InChIKey
KTUFNOKKBVMGRW-YKVCKAMESA-N
Catalogue number
GC60930
Brand
GLPBIO
Computed properties PubChem CID 25235771 · 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(C(=C(C(=C1CN2CCN(CC2)C)[2H])[2H])C(=O)NC3=CC(=C(C=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5)[2H]

Computed descriptors from PubChem (CID 25235771), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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