Analyte Name

N-Desmethyl Apalutamide-d4

Molecular Formula

C20 D4 H9 F4 N5 O2 S

Molecular Weight

467.433

Accurate Mass

467.098

SMILES

[2H]C1([2H])CC([2H])([2H])C12N(C(=S)N(C2=O)c3cnc(C#N)c(c3)C(F)(F)F)c4ccc(C(=O)N)c(F)c4

InChI

InChI=1S/C20H13F4N5O2S/c21-14-7-10(2-3-12(14)16(26)30)29-18(32)28(17(31)19(29)4-1-5-19)11-6-13(20(22,23)24)15(8-25)27-9-11/h2-3,6-7,9H,1,4-5H2,(H2,26,30)/i4D2,5D2

IUPAC

4-[7-[6-cyano-5-(trifluoromethyl)pyridin-3-yl]-1,1,3,3-tetradeuterio-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-fluorobenzamide

Unlabelled CAS Number

1332391-11-3

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat