Analyte Name

Afatinib-d4

Molecular Formula

C24 D4 H21 Cl F N5 O3

Molecular Weight

489.963

Accurate Mass

489.188

SMILES

[2H]C1([2H])C[C@H](Oc2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc2NC(=O)\C=C\CN(C)C)C([2H])([2H])O1

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)29-15-5-6-19(26)18(25)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/i9D2,13D2

IUPAC

(E)-N-[4-(3-chloro-4-fluoroanilino)-7-[(3S)-2,2,5,5-tetradeuteriooxolan-3-yl]oxyquinazolin-6-yl]-4-(dimethylamino)but-2-enamide

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Bioactive small molecule; Stable Isotope Labelled; API

Product Format

Neat