Paraxanthine-D3

Name: Paraxanthine-D3
Brand: Vaqora Chemicals
SKU: VQ-047664

About Paraxanthine-D3

Vaqora Chemicals supplies Paraxanthine-D3, a stable isotope labelled analogue related to Caffeine registered under CAS number 65566-70-3. Its molecular formula is C7H8N4O2 and its molecular weight is 183.18 g/mol. The IUPAC name is 1-methyl-7-(trideuteriomethyl)-3H-purine-2,6-dione.

The product is provided as a solid. Reference materials should be stored sealed and away from light and moisture, as specified on the accompanying COA. Good laboratory practice and suitable PPE are recommended during handling.

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. It is used across pharmaceutical manufacturing and academic and industrial research.

Available in 10 mg, 25 mg, 50 mg and 100 mg packs, Paraxanthine-D3 is dispatched with a Certificate of Analysis (COA) to destinations worldwide.

Typical applications

LC-MS/MS internal standard
Bioanalytical quantitation
Pharmacokinetic studies

Industries

Related to Caffeine

View every impurity, metabolite and intermediate we list for Caffeine.

Caffeine impurities

Grade guides

Specifications & identifiers

Chemical identifiers
Product name	Paraxanthine-D3
Catalogue No.	VQ-047664
CAS Number	65566-70-3
IUPAC name	1-methyl-7-(trideuteriomethyl)-3H-purine-2,6-dione
Molecular formula	C₇H₈N₄O₂
Molecular weight	183.18 g/mol
Exact mass	183.0836
Grade	Reference Standard
HSN code	38229090
InChIKey	QUNWUDVFRNGTCO-FIBGUPNXSA-N
SMILES	[2H]C([2H])([2H])N1C=NC2=C1C(=O)N(C(=O)N2)C
PubChem CID	59272719

Physical properties
Physical form	Solid
LogP (XLogP3)	-0.2
H-bond donors / acceptors	1 / 3
TPSA	67.2 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 Paraxanthine-D3?

The CAS Registry Number of Paraxanthine-D3 is 65566-70-3.

What is the molecular formula and molecular weight of Paraxanthine-D3?

Paraxanthine-D3 has the molecular formula C7H8N4O2 and a molecular weight of 183.18 g/mol. Its IUPAC name is 1-methyl-7-(trideuteriomethyl)-3H-purine-2,6-dione.

What is Paraxanthine-D3 used for?

Paraxanthine-D3 is supplied as a characterised reference material related to Caffeine. 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 Paraxanthine-D3 can I order?

We supply Paraxanthine-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 Paraxanthine-D3?

Yes. Every lot of Paraxanthine-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 Paraxanthine-D3 be shipped internationally?

Yes. We export Paraxanthine-D3 worldwide by air and sea freight or express courier, on EXW, FOB, CIF, CFR or DAP Incoterms, with full export documentation.