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Chemical structure of Erlotinib D6

GC60154

Erlotinib D6

Also known as N-(3-ethynylphenyl)-6,7-bis[2-(trideuteriomethoxy)ethoxy]quinazolin-4-amine

Erlotinib D6 (CP-358774 D6) is a deuterium labeled Erlotinib (CP-358774)· Erlotinib is a directly acting inhibitor EGFR tyrosine kinase inhibitor with an IC50 of 2 nM for human EGFR

ChemicalCAS1034651-23-4MW399.47FormulaC22H17D6N3O4
CAS number
1034651-23-4
Molecular weight
399.47
Formula
C22H17D6N3O4
InChIKey
AAKJLRGGTJKAMG-XERRXZQWSA-N
Catalogue number
GC60154
Brand
GLPBIO
Computed properties PubChem CID 24825688 · XLogP 3.3 · TPSA 74.7 Ų · H-bond donors 1
XLogP
3.3
TPSA
74.7 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
11
Heavy atoms
29

SMILES [2H]C([2H])([2H])OCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC([2H])([2H])[2H]

Computed descriptors from PubChem (CID 24825688), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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