Analyte Name

3-Dechloro-4-defluoro 4-Chloro-3-fluoro Afatinib

Molecular Formula

C24 H25 Cl F N5 O3

Molecular Weight

485.938

Accurate Mass

485.163

SMILES

CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(Cl)c(F)c3)ncnc2cc1O[C@H]4CCOC4

InChI

InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-18(25)19(26)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1

IUPAC

(E)-N-[4-(4-chloro-3-fluoroanilino)-7-[(3S)-oxolan-3-yl]oxyquinazolin-6-yl]-4-(dimethylamino)but-2-enamide

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat