Product Code

TRC-I927007

Product Format

Neat

Molecular Formula

13C C19 D3 H21 N4 O5

Molecular Weight

404.44

Product Categories

Stable isotopes, TRC

Product Type

Stable Isotope Labelled

Unlabelled CAS Number

1798429-54-5

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

Istradefylline M8-d3,13C

Molecular Formula

13C C19 D3 H21 N4 O5

Molecular Weight

404.44

Accurate Mass

404.197

SMILES

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

InChI

InChI=1S/C20H24N4O5/c1-5-23-18-17(19(26)24(10-11-25)20(23)27)22(2)16(21-18)9-7-13-6-8-14(28-3)15(12-13)29-4/h6-9,12,25H,5,10-11H2,1-4H3/b9-7+/i2+1D3

IUPAC

8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3-ethyl-1-(2-hydroxyethyl)-7-(trideuterio(113C)methyl)purine-2,6-dione

Unlabelled CAS Number

1798429-54-5

SIL Type

Deuterium, Carbon

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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