3-Desmorpholinyl-3-hydroxyethylamino Gefitinib

Base Information

• Chemical Name: 3-Desmorpholinyl-3-hydroxyethylamino Gefitinib
• CAS No.: 847949-56-8
• Molecular Formula: C20H22ClFN4O3
• Molecular Weight: 420.8650832
• UNII: 2TY3KG7OI9
• DSSTox Substance ID: DTXSID90459669
• Wikidata: Q82283498
• Mol file: 847949-56-8.mol

Synonyms:847949-56-8;3-Desmorpholinyl-3-hydroxyethylamino Gefitinib;Gefitinib Impurity 14;2TY3KG7OI9;Gefitinib metabolite M-537194;2-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypropylamino]ethanol;M537194;M-537194;2-(3-(4-(3-Chloro-4-fluoro-anilino)-7-methoxy-quinazolin-6-yl)oxypropylamino)ethanol;2-((3-((4-((3-chloro-4-fluorophenyl)amino)-7-methoxyquinazolin-6-yl)oxy)propyl)amino)ethan-1-ol;Ethanol, 2-((3-((4-((3-chloro-4-fluorophenyl)amino)-7-methoxy-6-quinazolinyl)oxy)propyl)amino)-;methoxyquinazolin-6-;fluorophenyl)amino)-7-;UNII-2TY3KG7OI9;2-[[3-[[4-[(3-Chloro-4-fluorophenyl)amino]-7-methoxy-6-quinazolinyl]oxy]propyl]amino]ethanol;AGN-PC-004YQ9;DTXSID90459669;WDGXWUJUPXLCDK-UHFFFAOYSA-N;2-((3-((4-((3-chloro-4-;3-Desmorpholinyl-3-hydroxyethylaminoGefitinib;CS-0164131;FT-0666254;F19252;A900007;yl)oxy)propyl)amino)ethan-1-ol? (Gefitinib Impurity pound(c)

Chemical Property of 3-Desmorpholinyl-3-hydroxyethylamino Gefitinib

Chemical Property:

• PSA: 88.53000
• LogP: 3.98920
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 10
• Exact Mass: 420.1364464
• Heavy Atom Count: 29
• Complexity: 481

Purity/Quality:

97% ^*data from raw suppliers

3-Desmorpholinyl-3-hydroxyethylamino gefitinib ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCNCCO