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Chemical structure of Afatinib impurity 11

GC60567

Afatinib impurity 11

Also known as N-[4-(3-chloro-4-fluoroanilino)-7-[(3S)-oxolan-3-yl]oxyquinazolin-6-yl]prop-2-enamide

Afatinib impurity 11 is an impurity of Afatinib· Afatinib is an irreversible EGFR family inhibitor with IC50s of 0·5 nM, 0·4 nM, 10 nM and 14 nM for EGFRwt, EGFRL858R, EGFRL858R/T790M and HER2, respectively

ChemicalCAS1402086-20-7MW428.84FormulaC21H18ClFN4O3
CAS number
1402086-20-7
Molecular weight
428.84
Formula
C21H18ClFN4O3
InChIKey
MLHDLQIHGCIPJQ-ZDUSSCGKSA-N
Catalogue number
GC60567
Brand
GLPBIO
Computed properties PubChem CID 66555110 · XLogP 3.9 · TPSA 85.4 Ų · H-bond donors 2
XLogP
3.9
TPSA
85.4 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
30

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

Computed descriptors from PubChem (CID 66555110), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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