1-(3-Carboxypropyl)3,7-dimethyl Xanthine-d6 1246816-64-7

About 1-(3-Carboxypropyl)3,7-dimethyl Xanthine-d6

1-(3-Carboxypropyl)3,7-dimethyl Xanthine-d6 is a stable isotope labelled analogue related to Pentoxifylline carrying the CAS registry number 1246816-64-7. With the molecular formula C11H14N4O4, it has a molar mass of 272.29 g/mol. Systematically, it is named 4-[2,6-dioxo-3,7-bis(trideuteriomethyl)purin-1-yl]butanoic acid. It is also known as Pentoxifylline Acid-d6 or Pentoxyfylline metabolite 1 d6.

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. 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. 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, 1-(3-Carboxypropyl)3,7-dimethyl Xanthine-d6 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 Pentoxifylline

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

Pentoxifylline impurities

Grade guides

Specifications & identifiers

Chemical identifiers
Product name	1-(3-Carboxypropyl)3,7-dimethyl Xanthine-d6
Catalogue No.	VQ-033108
CAS Number	1246816-64-7
IUPAC name	4-[2,6-dioxo-3,7-bis(trideuteriomethyl)purin-1-yl]butanoic acid
Molecular formula	C₁₁H₁₄N₄O₄
Molecular weight	272.29 g/mol
Exact mass	272.1392
Grade	Reference Standard
HSN code	38229090
InChIKey	WKASGTGXOGALBG-WFGJKAKNSA-N
SMILES	[2H]C([2H])([2H])N1C=NC2=C1C(=O)N(C(=O)N2C([2H])([2H])[2H])CCCC(=O)O
PubChem CID	71314528

Physical properties
Physical form	Solid
LogP (XLogP3)	-0.2
H-bond donors / acceptors	1 / 5
TPSA	95.7 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 1-(3-Carboxypropyl)3,7-dimethyl Xanthine-d6?

The CAS Registry Number of 1-(3-Carboxypropyl)3,7-dimethyl Xanthine-d6 is 1246816-64-7. It is also known as Pentoxifylline Acid-d6, Pentoxyfylline metabolite 1 d6, TMIH-0023.

What is the molecular formula and molecular weight of 1-(3-Carboxypropyl)3,7-dimethyl Xanthine-d6?

1-(3-Carboxypropyl)3,7-dimethyl Xanthine-d6 has the molecular formula C11H14N4O4 and a molecular weight of 272.29 g/mol. Its IUPAC name is 4-[2,6-dioxo-3,7-bis(trideuteriomethyl)purin-1-yl]butanoic acid.

What is 1-(3-Carboxypropyl)3,7-dimethyl Xanthine-d6 used for?

1-(3-Carboxypropyl)3,7-dimethyl Xanthine-d6 is supplied as a characterised reference material related to Pentoxifylline. 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-(3-Carboxypropyl)3,7-dimethyl Xanthine-d6 can I order?

We supply 1-(3-Carboxypropyl)3,7-dimethyl Xanthine-d6 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-(3-Carboxypropyl)3,7-dimethyl Xanthine-d6?

Yes. Every lot of 1-(3-Carboxypropyl)3,7-dimethyl Xanthine-d6 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-(3-Carboxypropyl)3,7-dimethyl Xanthine-d6 be shipped internationally?

Yes. We export 1-(3-Carboxypropyl)3,7-dimethyl Xanthine-d6 worldwide by air and sea freight or express courier, on EXW, FOB, CIF, CFR or DAP Incoterms, with full export documentation.