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Stable Isotope Labelled Standards (Deuterated, 13C, 15N)

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

Reference StandardAvailable on request

Buy 1-(3-Carboxypropyl)3,7-dimethyl Xanthine-d6 (CAS 1246816-64-7) from Zemixal. Lab and bulk packs, batch COA, fast global delivery.

Pack sizes
1-(3-Carboxypropyl)3,7-dimethyl Xanthine-d6 chemical structure
CAS number1246816-64-7
FormulaC11H14N4O4
Molar mass272.29 g/mol
Physical formSolid
HS code38229090
InChIKeyWKASGTGXOGALBG-WFGJKAKNSA-N
IUPAC name4-[2,6-dioxo-3,7-bis(trideuteriomethyl)purin-1-yl]butanoic acid

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

1-(3-Carboxypropyl)3,7-dimethyl Xanthine-d6 belongs to the Pentoxifylline reference-standard family in the Zemixal catalogue. For your records (Reference Standard), the material is defined by CAS 1246816-64-7, formula C11H14N4O4 and molar mass 272.29 g/mol. It is handled as a solid.

Where it is used

  • LC-MS/MS internal standard
  • Bioanalytical quantitation
  • Pharmacokinetic studies

Order it in 10 mg, 25 mg, 50 mg and 100 mg packs or ask for a bulk quotation. Every shipment includes a certificate of analysis with characterisation data. Add it to your quote list and our team replies with price, lead time and shipping options within one business day.

Reference standards for Pentoxifylline

See every impurity, metabolite and related compound we list for this API.

Pentoxifylline standards

Typical uses

  • LC-MS/MS internal standard
  • Bioanalytical quantitation
  • Pharmacokinetic studies

Applications

Grade guides

Specifications and identifiers

Specifications of 1-(3-Carboxypropyl)3,7-dimethyl Xanthine-d6
Product name1-(3-Carboxypropyl)3,7-dimethyl Xanthine-d6
Catalogue numberZX-031781
CAS number1246816-64-7
IUPAC name4-[2,6-dioxo-3,7-bis(trideuteriomethyl)purin-1-yl]butanoic acid
Molecular formulaC11H14N4O4
Molar mass272.29 g/mol
Exact mass272.1392
GradeReference Standard
Physical formSolid
XLogP3-0.2
H-bond donors / acceptors1 / 5
Topological polar surface area95.7 Ų
HS code38229090
InChIKeyWKASGTGXOGALBG-WFGJKAKNSA-N
SMILES[2H]C([2H])([2H])N1C=NC2=C1C(=O)N(C(=O)N2C([2H])([2H])[2H])CCCC(=O)O
PubChem CID71314528
SynonymsPentoxifylline Acid-d6, Pentoxyfylline metabolite 1 d6, TMIH-0023, 4-(3,7-bis(methyl-d3)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)butanoic acid

Lot values are stated on the batch certificate of analysis. Ask for a typical COA with your quotation.

Safety and GHS hazards

No GHS classification is on file for this item. Handle it as an unknown laboratory chemical and request the SDS with your quotation.

Pack sizes

Pack sizes of 1-(3-Carboxypropyl)3,7-dimethyl Xanthine-d6
10 mgQuoted on request
25 mgQuoted on request
50 mgQuoted on request
100 mgQuoted on request

Need a different size? Bulk drums and custom packing are quoted on request through the quote form on this page.

Questions about 1-(3-Carboxypropyl)3,7-dimethyl Xanthine-d6

Which CAS number identifies 1-(3-Carboxypropyl)3,7-dimethyl Xanthine-d6?
1-(3-Carboxypropyl)3,7-dimethyl Xanthine-d6 is registered under CAS 1246816-64-7. You may also see it listed as Pentoxifylline Acid-d6, Pentoxyfylline metabolite 1 d6, TMIH-0023. Our catalogue number for this item is ZX-031781.
What are the formula and molar mass of 1-(3-Carboxypropyl)3,7-dimethyl Xanthine-d6?
For 1-(3-Carboxypropyl)3,7-dimethyl Xanthine-d6, its formula is C11H14N4O4 and its molar mass is 272.29 g/mol. The systematic (IUPAC) name is 4-[2,6-dioxo-3,7-bis(trideuteriomethyl)purin-1-yl]butanoic acid. InChIKey WKASGTGXOGALBG-WFGJKAKNSA-N lets you match it in any structure database.
How is 1-(3-Carboxypropyl)3,7-dimethyl Xanthine-d6 used in pharmaceutical QC?
1-(3-Carboxypropyl)3,7-dimethyl Xanthine-d6 is a characterised reference material linked to Pentoxifylline. Laboratories use it to identify and quantify this impurity during method development and validation, stability work, batch release testing and regulatory submissions.
What grade and pack sizes are available for 1-(3-Carboxypropyl)3,7-dimethyl Xanthine-d6?
This listing is Reference Standard grade. Standard packs are 10 mg, 25 mg, 50 mg, 100 mg. Larger quantities and custom packing can be quoted on request.
Which documents come with 1-(3-Carboxypropyl)3,7-dimethyl Xanthine-d6?
Each lot ships with a batch certificate of analysis and a 16-section GHS safety data sheet. A typical COA or specification sheet can be shared with the quotation before you order.
Can Zemixal ship 1-(3-Carboxypropyl)3,7-dimethyl Xanthine-d6 to my country?
Yes. 1-(3-Carboxypropyl)3,7-dimethyl Xanthine-d6 ships worldwide by express courier, air cargo or sea freight, quoted on the Incoterm you prefer, with full export documents.

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