7-Methyl Xanthine-d3

Name: 7-Methyl Xanthine-d3
Brand: Vaqora Chemicals
SKU: VQ-044970

About 7-Methyl Xanthine-d3

7-Methyl Xanthine-d3 is a stable isotope labelled analogue related to Pentoxifylline labelled carrying the CAS registry number 1185878-99-2. The compound has the formula C6H6N4O2, corresponding to a molecular weight of 169.16 g/mol. Systematically, it is named 7-(trideuteriomethyl)-3H-purine-2,6-dione. It is also known as 7-(Methyl-D3)-Xanthine.

It is supplied as a solid. Reference materials should be stored sealed and away from light and moisture, as specified on the accompanying COA. Handle it with standard laboratory precautions and appropriate personal protective equipment.

Its mass shift relative to the unlabelled analyte makes it a dependable internal standard for LC-MS/MS assays, improving accuracy in bioanalysis, therapeutic drug monitoring and method validation. Typical end-use sectors are pharmaceutical manufacturing and academic and industrial research.

Vaqora Chemicals supplies 7-Methyl Xanthine-d3 in 10 mg, 25 mg, 50 mg and 100 mg packs, each shipped with a Certificate of Analysis (COA), and exports worldwide.

Typical applications

LC-MS/MS internal standard
Bioanalytical quantitation
Pharmacokinetic studies

Industries

Related to Pentoxifylline labelled

View every impurity, metabolite and intermediate we list for Pentoxifylline labelled.

Pentoxifylline labelled impurities

Grade guides

Specifications & identifiers

Chemical identifiers
Product name	7-Methyl Xanthine-d3
Catalogue No.	VQ-044970
CAS Number	1185878-99-2
IUPAC name	7-(trideuteriomethyl)-3H-purine-2,6-dione
Molecular formula	C₆H₆N₄O₂
Molecular weight	169.16 g/mol
Exact mass	169.0679
Grade	Reference Standard
HSN code	38229090
InChIKey	PFWLFWPASULGAN-FIBGUPNXSA-N
SMILES	[2H]C([2H])([2H])N1C=NC2=C1C(=O)NC(=O)N2
PubChem CID	58172379

Physical properties
Physical form	Solid
LogP (XLogP3)	-0.9
H-bond donors / acceptors	2 / 3
TPSA	76 Å²

Documents

Safety Data Sheet (SDS)16-section GHS · on request Certificate of AnalysisTypical / batch COA · on request Specification sheetTDS / MOA · on request

Frequently asked questions

What is the CAS number of 7-Methyl Xanthine-d3?

The CAS Registry Number of 7-Methyl Xanthine-d3 is 1185878-99-2. It is also known as 7-(Methyl-D3)-Xanthine, 1H-Purine-2,6-dione, 3,7-dihydro-7-(methyl-d3)-, 7-(~2~H_3_)Methyl-3,7-dihydro-1H-purine-2,6-dione.

What is the molecular formula and molecular weight of 7-Methyl Xanthine-d3?

7-Methyl Xanthine-d3 has the molecular formula C6H6N4O2 and a molecular weight of 169.16 g/mol. Its IUPAC name is 7-(trideuteriomethyl)-3H-purine-2,6-dione.

What is 7-Methyl Xanthine-d3 used for?

7-Methyl Xanthine-d3 is supplied as a characterised reference material related to Pentoxifylline labelled. It is used for analytical method development and validation (AMV), impurity profiling, stability studies and quality control, and in ANDA/DMF regulatory filings.

Which grade and pack sizes of 7-Methyl Xanthine-d3 can I order?

We supply 7-Methyl Xanthine-d3 in Reference Standard grade, in 10 mg, 25 mg, 50 mg, 100 mg packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with 7-Methyl Xanthine-d3?

Yes. Every lot of 7-Methyl Xanthine-d3 is shipped with a batch-specific Certificate of Analysis, and a 16-section GHS Safety Data Sheet is provided with the quotation and the shipment.

Can 7-Methyl Xanthine-d3 be shipped internationally?

Yes. We export 7-Methyl Xanthine-d3 worldwide by air and sea freight or express courier, on EXW, FOB, CIF, CFR or DAP Incoterms, with full export documentation.