Analyte Name

4-Desmethyl Istradefylline-d3,13C

Molecular Formula

13C C18 D3 H19 N4 O4

Molecular Weight

374.413

Accurate Mass

374.186

SMILES

[2H][13C]([2H])([2H])n1c(\C=C\c2ccc(O)c(OC)c2)nc3N(CC)C(=O)N(CC)C(=O)c13

InChI

InChI=1S/C19H22N4O4/c1-5-22-17-16(18(25)23(6-2)19(22)26)21(3)15(20-17)10-8-12-7-9-13(24)14(11-12)27-4/h7-11,24H,5-6H2,1-4H3/b10-8+/i3+1D3

IUPAC

1,3-diethyl-8-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-7-(trideuterio(113C)methyl)purine-2,6-dione

Unlabelled CAS Number

160434-48-0

SIL Type

Carbon, Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat