(2Z)-Afatinib-d6

Analyte Name

(2Z)-Afatinib-d6

Molecular Formula

C24 D6 H19 Cl F N5 O3 . 2 C4 H4 O4

Molecular Weight

724.1197

Accurate Mass

723.2226

SMILES

[2H]C([2H])([2H])N(C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]4CCOC4)C([2H])([2H])[2H].OC(=O)\C=C/C(=O)O.OC(=O)\C=C/C(=O)O

InChI

InChI=1S/C24H25ClFN5O3.2C4H4O4/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)29-15-5-6-19(26)18(25)10-15;2*5-3(6)1-2-4(7)8/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29);2*1-2H,(H,5,6)(H,7,8)/b4-3+;2*2-1-/t16-;;/m0../s1/i1D3,2D3;;

IUPAC

(E)-4-[bis(trideuteriomethyl)amino]-N-[4-(3-chloro-4-fluoroanilino)-7-[(3S)-oxolan-3-yl]oxyquinazolin-6-yl]but-2-enamide;(Z)-but-2-enedioic acid

Unlabelled CAS Number

850140-73-7

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat