8-Chlorotheophylline-D6

Name: 8-Chlorotheophylline-D6
Brand: Vaqora Chemicals
SKU: VQ-042478

About 8-Chlorotheophylline-D6

Vaqora Chemicals supplies 8-Chlorotheophylline-D6, a stable isotope labelled analogue related to Theophylline registered under CAS number 1346598-95-5. Formula C7H7ClN4O2, molecular weight 220.64 g/mol. Systematically, it is named 8-chloro-1,3-bis(trideuteriomethyl)-7H-purine-2,6-dione. It is also known as TMIH-0064.

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. 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. Typical end-use sectors are pharmaceutical manufacturing and academic and industrial research.

Available in 10 mg, 25 mg, 50 mg and 100 mg packs, 8-Chlorotheophylline-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 Theophylline

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

Theophylline impurities

Grade guides

Specifications & identifiers

Chemical identifiers
Product name	8-Chlorotheophylline-D6
Catalogue No.	VQ-042478
CAS Number	1346598-95-5
IUPAC name	8-chloro-1,3-bis(trideuteriomethyl)-7H-purine-2,6-dione
Molecular formula	C₇H₇ClN₄O₂
Molecular weight	220.64 g/mol
Exact mass	220.0634
Grade	Reference Standard
HSN code	38229090
InChIKey	RYIGNEOBDRVTHA-WFGJKAKNSA-N
SMILES	[2H]C([2H])([2H])N1C2=C(C(=O)N(C1=O)C([2H])([2H])[2H])NC(=N2)Cl
PubChem CID	71314819

Physical properties
Physical form	Solid
LogP (XLogP3)	0.9
H-bond donors / acceptors	1 / 3
TPSA	69.3 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 8-Chlorotheophylline-D6?

The CAS Registry Number of 8-Chlorotheophylline-D6 is 1346598-95-5. It is also known as TMIH-0064.

What is the molecular formula and molecular weight of 8-Chlorotheophylline-D6?

8-Chlorotheophylline-D6 has the molecular formula C7H7ClN4O2 and a molecular weight of 220.64 g/mol. Its IUPAC name is 8-chloro-1,3-bis(trideuteriomethyl)-7H-purine-2,6-dione.

What is 8-Chlorotheophylline-D6 used for?

8-Chlorotheophylline-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 8-Chlorotheophylline-D6 can I order?

We supply 8-Chlorotheophylline-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 8-Chlorotheophylline-D6?

Yes. Every lot of 8-Chlorotheophylline-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 8-Chlorotheophylline-D6 be shipped internationally?

Yes. We export 8-Chlorotheophylline-D6 worldwide by air and sea freight or express courier, on EXW, FOB, CIF, CFR or DAP Incoterms, with full export documentation.