Molecular structure of Canertinib dihydrochloride (CAS NO.289499-45-2) is:
Product Name: Canertinib dihydrochloride
CAS Registry Number: 289499-45-2
IUPAC Name: N-[4-(3-chloro-4-fluoroanilino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]prop-2-enamide dihydrochloride
Molecular Weight: 558.860283 [g/mol]
Molecular Formula: C24H27Cl3FN5O3
H-Bond Donor: 4
H-Bond Acceptor: 8
Flash Point: 371.7 °C
Enthalpy of Vaporization: 101.26 kJ/mol
Boiling Point: 691 °C at 760 mmHg
Vapour Pressure: 6.08E-19 mmHg at 25 °C
Product Categories: API
SMILES: Cl.Cl.Fc1ccc(cc1Cl)Nc4ncnc3cc(OCCCN2CCOCC2)c(NC(=O)\C=C)cc34
InChI: InChI=1/C24H25ClFN5O3.2ClH/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16;;/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29);2*1H
InChIKey: JZZFDCXSFTVOJY-UHFFFAOYAB
Canertinib dihydrochloride , its cas register number is 289499-45-2. It also can be called N-[4-[(3-Chloro-4-fluorophenyl)amino]-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]prop-2-enamide dihydrochloride ; 2-Propenamide,N-[4-[(3-chloro-4-fluorophenyl)amino]-7-[3-(4-morpholinyl)propoxy]-6-quinazolinyl]-,hydrochloride (1:2) .
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