Product Code

TRC-D557102

CAS Number

1346599-13-0

Product Format

Neat

Molecular Formula

C11H10D4N4O4

Molecular Weight

270.28

Product Categories

TRC, Stable isotopes, API Reference Standards & Research Materials

Product Type

Impurity, Stable Isotope Labelled

Unlabelled CAS Number

69975-86-6

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

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

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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