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Chemical structure of N-Desmethyl imatinib-d8

GC64335

N-Desmethyl 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-octadeuteriopiperazin-1-yl)methyl]benzamide

N-Desmethyl imatinib D8 (Norimatinib D8) is a deuterium labeled Imatinib metabolite N-Desmethyl Imatinib

ChemicalCAS1185103-28-9MW487.63FormulaC28H21D8N7O
CAS number
1185103-28-9
Molecular weight
487.63
Formula
C28H21D8N7O
InChIKey
BQQYXPHRXIZMDM-DBVREXLBSA-N
Catalogue number
GC64335
Brand
GLPBIO
Computed properties PubChem CID 44816894 · XLogP 3 · TPSA 95.1 Ų · H-bond donors 3
XLogP
3
TPSA
95.1 Ų
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
36

SMILES [2H]C1(C(N(C(C(N1)([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 44816894), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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