Gefitinib

Description: Gefitinib/ Iressa is a drug used for certain breast, lung and other cancers, is an EGFR inhibitor which interrupts signaling through the epidermal growth factor receptor (EGFR) in target cells.

• Catalog: OFC184475352
• CAS: 184475-35-2
• Category: Fluorinated APIs
• Synonyms: Iressa
• Purity: 97%

• IUPAC Name: N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
• 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)
• InChI Key: XGALLCVXEZPNRQ-UHFFFAOYSA-N
• Isomeric SMILES: COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4
• EC Number: 643-034-7

• Molecular Formula: C22H24ClFN4O3
• Molecular Weight: 446.9
• Appearance: Off-white powder

• XLogP3-AA: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 8
• Exact Mass: 446.1520965 g/mol
• Monoisotopic Mass: 446.1520965 g/mol
• Topological Polar Surface Area: 68.7Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 545