Product Code

TRC-T343802

CAS Number

117490-40-1

Product Format

Neat

Molecular Formula

C7 2H6 H2 N4 O2

Molecular Weight

186.20

API Family

Theobromine

Product Categories

Stable Isotope Labelled Analytical Standards, TRC, Metabolites & bioactive compounds, Stable isotopes, Cardiac drugs and beta blockers, Cardiac drugs and beta blockers

Product Type

Stable Isotope Labelled, Metabolite, Bioactive Small Molecule

Unlabelled CAS Number

83-67-0

Purity

>95% (HPLC)

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

Theobromine-d6

CAS Number

117490-40-1

Molecular Formula

C7 2H6 H2 N4 O2

Molecular Weight

186.20

Accurate Mass

186.1024

SMILES

[2H]C([2H])([2H])N1C(=O)NC(=O)c2c1ncn2C([2H])([2H])[2H]

InChI

InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)/i1D3,2D3

IUPAC

3,7-bis(trideuteriomethyl)purine-2,6-dione

Unlabelled CAS Number

83-67-0

SIL Type

Deuterium

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite; Stable Isotope Labelled

Product Format

Neat

API Family

Theobromine

Purity

>95% (HPLC)

Product Description

A labelled metabolite of Caffeine.

References: Suto, M., et al.: Anticancer Drug Des., 6, 107 (1991), Burkart, V., et al.: Nat. Med., 5, 314 (1999), Hassa, P., et al.: J. Biol. Chem., 278, 45145 2003), Veres, B., et al.: J. Pharmacol. Exp. Ther., 310, 247(2004),

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Theobromine-d6

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