Analyte Name

Decernotinib-D3

Molecular Formula

C18H16D3F3N6O

Molecular Weight

395.4

Accurate Mass

395.18

SMILES

O=C(NCC(F)(F)F)[C@@](NC1=NC(C2=CNC3=C2C=CC=N3)=NC=C1)(C([2H])([2H])[2H])CC

InChI

InChI=1S/C18H19F3N6O/c1-3-17(2,16(28)25-10-18(19,20)21)27-13-6-8-23-15(26-13)12-9-24-14-11(12)5-4-7-22-14/h4-9H,3,10H2,1-2H3,(H,22,24)(H,25,28)(H,23,26,27)/i2D3

IUPAC

(R)-2-((2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl)amino)-2-(methyl-d3)-N-(2,2,2-trifluoroethyl)butanamide

Unlabelled CAS Number

944842-54-0

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat