Analyte Name

N-Desmethyl Apalutamide D-13C215N

Molecular Formula

13C2 C18 H13 F4 15N N4 O2 S

Molecular Weight

466.387

Accurate Mass

466.076

SMILES

[15NH2]C(=O)c1ccc(cc1F)N2C(=S)N([13C](=O)C23CCC3)c4cnc([13C]#N)c(c4)C(F)(F)F

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)/i8+1,17+1,26+1

IUPAC

4-[7-[6-(azanylidyne(113C)methyl)-5-(trifluoromethyl)pyridin-3-yl]-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-fluoro(15N)benzamide

Unlabelled CAS Number

1332391-11-3

SIL Type

Carbon, Nitrogen

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat