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Chemical structure of Gefitinib D8

GC60868

Gefitinib D8

Also known as N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[3-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)propoxy]quinazolin-4-amine

Gefitinib D8 (ZD1839 D8) is a deuterium labeled Gefitinib· Gefitinib is an EGFR tyrosine kinase inhibitor, with IC50 of 2-37 nM in NR6wtEGFR cells

ChemicalCAS857091-32-8MW454.95FormulaC22H16D8ClFN4O3
CAS number
857091-32-8
Molecular weight
454.95
Formula
C22H16D8ClFN4O3
InChIKey
XGALLCVXEZPNRQ-IHGLQNJRSA-N
Catalogue number
GC60868
Brand
GLPBIO
Computed properties PubChem CID 49849312 · XLogP 4.1 · TPSA 68.7 Ų · H-bond donors 1
XLogP
4.1
TPSA
68.7 Ų
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
31

SMILES [2H]C1(C(OC(C(N1CCCOC2=C(C=C3C(=C2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl)OC)([2H])[2H])([2H])[2H])([2H])[2H])[2H]

Computed descriptors from PubChem (CID 49849312), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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