Analyte Name

Diethyl (S)-2-Amino-2-oxoethyl Phosphonate Afatinib

CAS Number

618061-76-0

Molecular Formula

C24 H27 Cl F N4 O6 P

Molecular Weight

552.919

Accurate Mass

552.134

SMILES

CCOP(=O)(CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]4CCOC4)OCC

InChI

InChI=1S/C24H27ClFN4O6P/c1-3-34-37(32,35-4-2)13-23(31)30-21-10-17-20(11-22(21)36-16-7-8-33-12-16)27-14-28-24(17)29-15-5-6-19(26)18(25)9-15/h5-6,9-11,14,16H,3-4,7-8,12-13H2,1-2H3,(H,30,31)(H,27,28,29)/t16-/m0/s1

IUPAC

N-[4-(3-chloro-4-fluoroanilino)-7-[(3S)-oxolan-3-yl]oxyquinazolin-6-yl]-2-diethoxyphosphorylacetamide

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat