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Chemical structure of Afatinib N-Oxide

GC60568

Afatinib N-Oxide

Also known as (E)-4-[[4-(3-chloro-4-fluoroanilino)-7-[(3S)-oxolan-3-yl]oxyquinazolin-6-yl]amino]-N,N-dimethyl-4-oxobut-2-en-1-amine oxide

Afatinib N-Oxide is a impurity of Afatinib dimaleate in oxidative degradation

ChemicalCAS2413212-11-8MW501.94FormulaC24H25ClFN5O4
CAS number
2413212-11-8
Molecular weight
501.94
Formula
C24H25ClFN5O4
InChIKey
IABSYXLQTGEUIV-CWDCEQMOSA-N
Catalogue number
GC60568
Brand
GLPBIO
Computed properties PubChem CID 76967686 · XLogP 3.1 · TPSA 103 Ų · H-bond donors 2
XLogP
3.1
TPSA
103 Ų
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
35

SMILES C[N+](C)(C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4)[O-]

Computed descriptors from PubChem (CID 76967686), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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