1-(3-Carboxypropyl)-3,7-dimethyl Xanthine-d6

Analyte Name

1-(3-Carboxypropyl)-3,7-dimethyl Xanthine-d6

CAS Number

1246816-64-7

Molecular Formula

C11 D6 H8 N4 O4

Molecular Weight

272.29

Accurate Mass

272.139

SMILES

[2H]C([2H])([2H])N1C(=O)N(CCCC(=O)O)C(=O)c2c1ncn2C([2H])([2H])[2H]

InChI

InChI=1S/C11H14N4O4/c1-13-6-12-9-8(13)10(18)15(11(19)14(9)2)5-3-4-7(16)17/h6H,3-5H2,1-2H3,(H,16,17)/i1D3,2D3

IUPAC

4-[2,6-dioxo-3,7-bis(trideuteriomethyl)purin-1-yl]butanoic acid

Unlabelled CAS Number

6493-07-8

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat