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Chemical structure of Gefitinib-d6

GC47395

Gefitinib-d6

Also known as N-(3-chloro-4-fluorophenyl)-6-(1,1,2,2,3,3-hexadeuterio-3-morpholin-4-ylpropoxy)-7-methoxyquinazolin-4-amine

An internal standard for the quantification of gefitinib

ChemicalCAS1228664-49-0MW452.9FormulaC22H18ClD6FN4O3
CAS number
1228664-49-0
Molecular weight
452.9
Formula
C22H18ClD6FN4O3
Solubility
DMF: 20 mg/ml,DMSO: 20 mg/ml,DMSO:PBS (pH 7·2) (1:1): 0·5 mg/ml,Ethanol: 0·3 mg/ml
InChIKey
XGALLCVXEZPNRQ-AQCDAZAYSA-N
Catalogue number
GC47395
Brand
GLPBIO
Computed properties PubChem CID 46243754 · 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]C([2H])(C([2H])([2H])N1CCOCC1)C([2H])([2H])OC2=C(C=C3C(=C2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl)OC

Computed descriptors from PubChem (CID 46243754), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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