Theophylline-d6

Name: Theophylline-d6
Brand: Vaqora Chemicals
SKU: VQ-034187

About Theophylline-d6

Vaqora Chemicals supplies Theophylline-d6, a stable isotope labelled analogue related to Theophylline registered under CAS number 117490-39-8. With the molecular formula C7H8N4O2, it has a molar mass of 186.2 g/mol. The IUPAC name is 1,3-bis(trideuteriomethyl)-7H-purine-2,6-dione. Common synonyms include Theophylline-d6 (dimethyl-d6) and 3,9-Dihydro-1,3-dimethyl-.

It is supplied as a solid. Keep the vial tightly closed, protected from light and humidity, at the temperature stated on the Certificate of Analysis. The GHS classification uses the signal word “Danger”, so appropriate gloves, eye protection and ventilation are recommended.

This isotope-labelled compound is used as an internal standard for LC-MS and LC-MS/MS quantitation of Theophylline and related analytes in bioanalytical, pharmacokinetic and impurity studies. Buyers come mainly from pharmaceutical manufacturing and academic and industrial research.

We offer Theophylline-d6 in 10 mg, 25 mg, 50 mg and 100 mg packs with a batch-specific COA, and ship to customers worldwide.

Typical applications

LC-MS/MS internal standard
Bioanalytical quantitation
Pharmacokinetic studies

Industries

Related to Theophylline

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

Theophylline impurities

Grade guides

Specifications & identifiers

Chemical identifiers
Product name	Theophylline-d6
Catalogue No.	VQ-034187
CAS Number	117490-39-8
IUPAC name	1,3-bis(trideuteriomethyl)-7H-purine-2,6-dione
Molecular formula	C₇H₈N₄O₂
Molecular weight	186.2 g/mol
Exact mass	186.1024
Grade	Reference Standard
HSN code	38229090
InChIKey	ZFXYFBGIUFBOJW-WFGJKAKNSA-N
SMILES	[2H]C([2H])([2H])N1C2=C(C(=O)N(C1=O)C([2H])([2H])[2H])NC=N2
PubChem CID	16120411

Physical properties
Physical form	Solid
H-bond donors / acceptors	1 / 3
TPSA	69.3 Å²
Synonyms	1,3-Bis((~2~H_3_)methyl)-3,7-dihydro-1H-purine-2,6-dione, 1,3-Bis[(~2~H_3_)methyl]-3,7-dihydro-1H-purine-2,6-dione, Theophylline-d6 (dimethyl-d6), 3,9-Dihydro-1,3-dimethyl-, TMID-0117, 1,3-bis(trideuteriomethyl)-9H-purine-2,6-dione

Safety & hazard information (GHS)

Toxic

Signal word: Danger

Hazard statements

H301Toxic if swallowed

Precautionary statements: P264, P270, P301 + P316, P321, P330, 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 Theophylline-d6?

The CAS Registry Number of Theophylline-d6 is 117490-39-8. It is also known as 1,3-Bis((~2~H_3_)methyl)-3,7-dihydro-1H-purine-2,6-dione, 1,3-Bis[(~2~H_3_)methyl]-3,7-dihydro-1H-purine-2,6-dione, Theophylline-d6 (dimethyl-d6).

What is the molecular formula and molecular weight of Theophylline-d6?

Theophylline-d6 has the molecular formula C7H8N4O2 and a molecular weight of 186.2 g/mol. Its IUPAC name is 1,3-bis(trideuteriomethyl)-7H-purine-2,6-dione.

What is Theophylline-d6 used for?

Theophylline-d6 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 Theophylline-d6 can I order?

We supply Theophylline-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 Theophylline-d6?

Yes. Every lot of Theophylline-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 Theophylline-d6 be shipped internationally?

Yes. Theophylline-d6 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.