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1-Methyl Xanthine-d3

Product Code

TRC-M338577

CAS Number

1216430-61-3

Product Format

Neat

Molecular Formula

C6 2H3 H3 N4 O2

Molecular Weight

169.16

API Family

Xanthine

Unlabelled CAS Number

6136-37-4

Price and availability

48-hour USA dispatch time
If Exact Weight packaging is selected, a certificate will be delivered with the product, which will indicate the mass of the material dispensed into the vial with a precision of up to 3 decimal places. Exceptions apply.

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Product Information

Chemical Data

Analyte Name

1-Methylxanthine-d3

CAS Number

1216430-61-3

Molecular Formula

C6 2H3 H3 N4 O2

Molecular Weight

169.16

Accurate Mass

169.0679

SMILES

[2H]C([2H])([2H])N1C(=O)Nc2[nH]cnc2C1=O

InChI

InChI=1S/C6H6N4O2/c1-10-5(11)3-4(8-2-7-3)9-6(10)12/h2H,1H3,(H,7,8)(H,9,12)/i1D3

IUPAC

1-(trideuteriomethyl)-3,9-dihydropurine-2,6-dione

Unlabelled CAS Number

6136-37-4

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

Xanthine

Product Description

A labelled metabolite of Theophylline.

References: ottrup, A., et al.: Pharmacol. Toxicol., 67, 340

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