Analyte Name

Alpelisib D3, 15N

Molecular Formula

C19H19D3F3N4¹⁵NO2S

Molecular Weight

445.48

SMILES

FC(F)(F)C(C)(C)C1=CC(C(SC(NC(N2[C@@H](CCC2)C([15NH2])=O)=O)=N3)=C3C([2H])([2H])[2H])=CC=N1

InChI

InChI=1S/C19H22F3N5O2S/c1-10-14(11-6-7-24-13(9-11)18(2,3)19(20,21)22)30-16(25-10)26-17(29)27-8-4-5-12(27)15(23)28/h6-7,9,12H,4-5,8H2,1-3H3,(H2,23,28)(H,25,26,29)/t12-/m0/s1/i1D3,23+1

IUPAC

(2S)-1-N-[4-(trideuteriomethyl)-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl]pyrrolidine-1,2-di(15N)carboxamide

SIL Type

Deuterium, Nitrogen

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat