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Chemical structure of Imatinib Impurity E

GC60931

Imatinib Impurity E

Also known as N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-[[4-[[4-[[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]phenyl]methyl]piperazin-1-yl]methyl]benzamide

Imatinib Impurity E is the impurity of Imatinib

ChemicalCAS1365802-18-1MW873.02FormulaC52H48N12O2
CAS number
1365802-18-1
Molecular weight
873.02
Formula
C52H48N12O2
InChIKey
DZHKYOWYCVBDPW-UHFFFAOYSA-N
Catalogue number
GC60931
Brand
GLPBIO
Computed properties PubChem CID 71315751 · XLogP 7 · TPSA 166 Ų · H-bond donors 4
XLogP
7
TPSA
166 Ų
H-bond donors
4
H-bond acceptors
12
Rotatable bonds
14
Heavy atoms
66

SMILES CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)CC4=CC=C(C=C4)C(=O)NC5=CC(=C(C=C5)C)NC6=NC=CC(=N6)C7=CN=CC=C7)NC8=NC=CC(=N8)C9=CN=CC=C9

Computed descriptors from PubChem (CID 71315751), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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