Theophylline-7-acetaldehyde

Name: Theophylline-7-acetaldehyde
Brand: Zemixal
SKU: ZX-024366

Reference StandardAvailable on request

Buy Theophylline-7-acetaldehyde (CAS 5614-53-9) from Zemixal. Lab and bulk packs, batch COA, fast global delivery. Packs from 10 mg.

Pack sizes

Theophylline-7-acetaldehyde chemical structure

CAS number5614-53-9

FormulaC₉H₁₀N₄O₃

Molar mass222.2 g/mol

Physical formSolid

HS code38229090

InChIKeyLXIWYKGAOIXZFO-UHFFFAOYSA-N

IUPAC name2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetaldehyde

About Theophylline-7-acetaldehyde

Theophylline-7-acetaldehyde belongs to the Doxofylline reference-standard family in the Zemixal catalogue. Key data (Reference Standard): CAS 5614-53-9, formula C9H10N4O3 and molar mass 222.2 g/mol. It is handled as a solid.

Common uses in the lab and plant

Analytical method development
Method validation (AMV)
QC release testing
ANDA / DMF filings

Available as 10 mg, 25 mg, 50 mg and 100 mg. Larger or split packs can be arranged. Each lot travels with a certificate of analysis with characterisation data. Send an enquiry through the quote panel and you get a formal offer with Incoterms and delivery time.

Reference standards for Doxofylline

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

Doxofylline standards

Typical uses

Analytical method development
Method validation (AMV)
QC release testing
ANDA / DMF filings

Applications

Pharmaceutical Manufacturing and QC Research Labs and Universities

Specifications and identifiers

Specifications of Theophylline-7-acetaldehyde
Product name	Theophylline-7-acetaldehyde
Catalogue number	ZX-024366
CAS number	5614-53-9
IUPAC name	2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetaldehyde
Molecular formula	C₉H₁₀N₄O₃
Molar mass	222.2 g/mol
Exact mass	222.0753
Grade	Reference Standard
Physical form	Solid
XLogP3	-0.8
H-bond donors / acceptors	0 / 4
Topological polar surface area	75.5 Å²
HS code	38229090
InChIKey	LXIWYKGAOIXZFO-UHFFFAOYSA-N
SMILES	CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC=O
PubChem CID	14482471
Synonyms	Theophylline acetaldehyde, 7-Theophyllineacetaldehyde, Doxophylline metabolite M1, 7-(Formylmethyl)theophylline, 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetaldehyde, (1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetaldehyde, 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetaldehyde, 7H-Purine-7-acetaldehyde, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-, 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl) acetaldehyde, 7-theophyllinyl acetaldehyde, 5614-53-9 (aldehyde form), 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetaldehyde

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 Theophylline-7-acetaldehyde
10 mg	Quoted on request
25 mg	Quoted on request
50 mg	Quoted on request
100 mg	Quoted on request

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

Questions about Theophylline-7-acetaldehyde

Which CAS number identifies Theophylline-7-acetaldehyde?

Theophylline-7-acetaldehyde is registered under CAS 5614-53-9. You may also see it listed as Theophylline acetaldehyde, 7-Theophyllineacetaldehyde, Doxophylline metabolite M1. Our catalogue number for this item is ZX-024366.

What are the formula and molar mass of Theophylline-7-acetaldehyde?

For Theophylline-7-acetaldehyde, its formula is C9H10N4O3 and its molar mass is 222.2 g/mol. The systematic (IUPAC) name is 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetaldehyde. InChIKey LXIWYKGAOIXZFO-UHFFFAOYSA-N lets you match it in any structure database.

How is Theophylline-7-acetaldehyde used in pharmaceutical QC?

Theophylline-7-acetaldehyde is a characterised reference material linked to Doxofylline. 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 Theophylline-7-acetaldehyde?

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 Theophylline-7-acetaldehyde?

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 Theophylline-7-acetaldehyde to my country?

Yes. Theophylline-7-acetaldehyde ships worldwide by express courier, air cargo or sea freight, quoted on the Incoterm you prefer, with full export documents.

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