Analyte Name

Doxofylline-d4

CAS Number

1346599-13-0

Molecular Formula

C11H10D4N4O4

Molecular Weight

270.28

Accurate Mass

270.13

SMILES

O=C(N(C)C1=C2N(CC3OC([2H])([2H])C([2H])([2H])O3)C=N1)N(C)C2=O

InChI

InChI=1S/C11H14N4O4/c1-13-9-8(10(16)14(2)11(13)17)15(6-12-9)5-7-18-3-4-19-7/h6-7H,3-5H2,1-2H3/i3D2,4D2

IUPAC

7-((1,3-dioxolan-2-yl-4,4,5,5-d4)methyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

Unlabelled CAS Number

69975-86-6

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity; Stable Isotope Labelled; API

Product Format

Neat