Analyte Name

N-Methyl-2-[4-[(methylamino)carbonyl]-1H-pyrazol-1-yl]adenosine-D3

Molecular Formula

C16 D3 H17 N8 O5

Molecular Weight

407.399

Accurate Mass

407.174

SMILES

[2H]C([2H])([2H])NC(=O)c1cnn(c1)c2nc(NC)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2

InChI

InChI=1S/C16H20N8O5/c1-17-12-9-13(22-16(21-12)24-4-7(3-20-24)14(28)18-2)23(6-19-9)15-11(27)10(26)8(5-25)29-15/h3-4,6,8,10-11,15,25-27H,5H2,1-2H3,(H,18,28)(H,17,21,22)/t8-,10-,11-,15-/m1/s1/i2D3

IUPAC

1-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(methylamino)purin-2-yl]-N-(trideuteriomethyl)pyrazole-4-carboxamide

Unlabelled CAS Number

765299-55-6

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat