Caffeine-d9

Name: Caffeine-d9
Brand: Vaqora Chemicals
SKU: VQ-029584

About Caffeine-d9

Vaqora Chemicals supplies Caffeine-d9, a stable isotope labelled analogue related to Caffeine registered under CAS number 72238-85-8. The compound has the formula C8H10N4O2, corresponding to a molecular weight of 203.25 g/mol. The IUPAC name is 1,3,7-tris(trideuteriomethyl)purine-2,6-dione. Common synonyms include Caffeine-d9 (1,3,7-trimethyl-d9) and d9-caffeine.

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.

This isotope-labelled compound is used as an internal standard for LC-MS and LC-MS/MS quantitation of Caffeine and related analytes in bioanalytical, pharmacokinetic and impurity studies. Our customers for this product work in pharmaceutical manufacturing and academic and industrial research.

Available in 10 mg, 25 mg, 50 mg and 100 mg packs, Caffeine-d9 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	Caffeine-d9
Catalogue No.	VQ-029584
CAS Number	72238-85-8
IUPAC name	1,3,7-tris(trideuteriomethyl)purine-2,6-dione
Molecular formula	C₈H₁₀N₄O₂
Molecular weight	203.25 g/mol
Exact mass	203.1369
Grade	Reference Standard
HSN code	38229090
InChIKey	RYYVLZVUVIJVGH-GQALSZNTSA-N
SMILES	[2H]C([2H])([2H])N1C=NC2=C1C(=O)N(C(=O)N2C([2H])([2H])[2H])C([2H])([2H])[2H]
PubChem CID	13001304

Physical properties
Physical form	Solid
LogP (XLogP3)	-0.1
H-bond donors / acceptors	0 / 3
TPSA	58.4 Å²
Synonyms	1,3,7-Tris((~2~H_3_)methyl)-3,7-dihydro-1H-purine-2,6-dione, 1,3,7-Tris[(~2~H_3_)methyl]-3,7-dihydro-1H-purine-2,6-dione, Caffeine-d9 (1,3,7-trimethyl-d9), d9-caffeine, 1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-tri(methyl-d3)-

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 Caffeine-d9?

The CAS Registry Number of Caffeine-d9 is 72238-85-8. It is also known as 1,3,7-Tris((~2~H_3_)methyl)-3,7-dihydro-1H-purine-2,6-dione, 1,3,7-Tris[(~2~H_3_)methyl]-3,7-dihydro-1H-purine-2,6-dione, Caffeine-d9 (1,3,7-trimethyl-d9).

What is the molecular formula and molecular weight of Caffeine-d9?

Caffeine-d9 has the molecular formula C8H10N4O2 and a molecular weight of 203.25 g/mol. Its IUPAC name is 1,3,7-tris(trideuteriomethyl)purine-2,6-dione.

What is Caffeine-d9 used for?

Caffeine-d9 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 Caffeine-d9 can I order?

We supply Caffeine-d9 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 Caffeine-d9?

Yes. Every lot of Caffeine-d9 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 Caffeine-d9 be shipped internationally?

Yes. We export Caffeine-d9 worldwide by air and sea freight or express courier, on EXW, FOB, CIF, CFR or DAP Incoterms, with full export documentation.