1-Methyl Xanthine

Name: 1-Methyl Xanthine
Brand: Vaqora Chemicals
SKU: VQ-028323

About 1-Methyl Xanthine

1-Methyl Xanthine is a metabolite or degradation product of Theophylline carrying the CAS registry number 6136-37-4. Formula C6H6N4O2, molecular weight 166.14 g/mol. Systematically, it is named 1-methyl-3,7-dihydropurine-2,6-dione. Common synonyms include Xanthine, 1-methyl- and 1H-Purine-2,6-dione, 3,7-dihydro-1-methyl-.

The product is provided as a solid. Store the standard in its sealed vial, protected from light and moisture, and follow the storage condition printed on the COA. Under GHS it is labelled “Warning”, so handle it with suitable PPE and consult the SDS.

Analytical teams use this compound to identify metabolites and degradants of Theophylline, to validate stability-indicating methods (AMV) and to support QC and regulatory filings. Our customers for this product work in pharmaceutical manufacturing and academic and industrial research.

We offer 1-Methyl Xanthine in 10 mg, 25 mg, 50 mg and 100 mg packs with a batch-specific COA, and ship to customers worldwide.

Typical applications

Metabolite identification
Stability-indicating methods
Impurity profiling

Industries

Related to Theophylline

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

Theophylline impurities

Specifications & identifiers

Chemical identifiers
Product name	1-Methyl Xanthine
Catalogue No.	VQ-028323
CAS Number	6136-37-4
IUPAC name	1-methyl-3,7-dihydropurine-2,6-dione
Molecular formula	C₆H₆N₄O₂
Molecular weight	166.14 g/mol
Exact mass	166.0491
Grade	Reference Standard
HSN code	38229090
InChIKey	MVOYJPOZRLFTCP-UHFFFAOYSA-N
SMILES	CN1C(=O)C2=C(NC1=O)N=CN2
PubChem CID	80220

Physical properties
Physical form	Solid
LogP (XLogP3)	-0.3
H-bond donors / acceptors	2 / 3
TPSA	78.1 Å²
Synonyms	Xanthine, 1-methyl-, 1H-Purine-2,6-dione, 3,7-dihydro-1-methyl-, 1-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 1-Methyl-1H-purine-2,6(3H,7H)-dione, 1-Methyl-3,7-dihydro-purine-2,6-dione, 2,6-Dihydroxy-1-methylpurine, 1-Methyl-3,7-dihydro-1H-purine-2,6-dione, 1-methyl-7H-xanthine, Methylxanthine, 3,7-Dihydro-1-methyl-1H-purine-2,6-dione, 2,6 Dihydroxy-1-methylpurine

Safety & hazard information (GHS)

Harmful / irritant

Signal word: Warning

Hazard statements

H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation

Precautionary statements: P261, P264, P264 + P265, P270, P271, P280, P301 + P317, P302 + P352, P304 + P340, P305 + P351 + P338, P319, P321, P330, P332 + P317, P337 + P317, P362 + P364, P403 + P233, P405, P501

Classification is indicative (aggregated GHS notifications) and may vary by grade and concentration. Always refer to the SDS supplied with your lot.

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 1-Methyl Xanthine?

The CAS Registry Number of 1-Methyl Xanthine is 6136-37-4. It is also known as Xanthine, 1-methyl-, 1H-Purine-2,6-dione, 3,7-dihydro-1-methyl-, 1-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione.

What is the molecular formula and molecular weight of 1-Methyl Xanthine?

1-Methyl Xanthine has the molecular formula C6H6N4O2 and a molecular weight of 166.14 g/mol. Its IUPAC name is 1-methyl-3,7-dihydropurine-2,6-dione.

What is 1-Methyl Xanthine used for?

1-Methyl Xanthine is supplied as a characterised reference material related to Theophylline. 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 1-Methyl Xanthine can I order?

We supply 1-Methyl Xanthine 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 1-Methyl Xanthine?

Yes. Every lot of 1-Methyl Xanthine 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 1-Methyl Xanthine be shipped internationally?

Yes. 1-Methyl Xanthine is classified as hazardous, so it is packed in UN-approved packaging and shipped as dangerous goods under IATA/IMDG rules. We export worldwide on EXW, FOB, CIF and DAP terms.