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Gefitinib-[d3]

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General Information
Catalog: BLP-012680
CAS: 1173976-40-3
Molecular Formula: C22H21D3ClFN4O3
Molecular Weight: 449.92

Chemical Structure

Description	Gefitinib-[d3] is the labelled analogue of Gefitinib. Gefitinib is an EGFR inhibitor. It is used for the treatment of certain breast, lung and other cancers.
Synonyms	Gefitinib D3; N-(3-Chloro-4-fluorophenyl)-7-(methoxy-d3)-6-[3-(4-morpholinyl)propoxy]-4-quinazolinamine
IUPAC Name	N-(3-chloro-4-fluorophenyl)-6-(3-morpholin-4-ylpropoxy)-7-(trideuteriomethoxy)quinazolin-4-amine
Related CAS	184475-35-2 (unlabelled)
Canonical SMILES	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4
InChI	InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)/i1D3
InChI Key	XGALLCVXEZPNRQ-FIBGUPNXSA-N
Boiling Point	586.8±0.0 °C at 760 mmHg
Melting Point	193-196°C
Purity	98% by HPLC; 99% atom D
Density	1.3±0.0 g/cm3
Solubility	Soluble in Acetone, DMSO, Methanol
Appearance	Off-white to Light Beige Solid
Storage	Store at -20°C