Acephylline

Name: Acephylline
Brand: Zemixal
SKU: ZX-020453

Reference StandardAvailable on request

Acephylline (CAS 652-37-9) supplier Zemixal. Request a quote with price, lead time and documents. Packs from 10 mg. Part of our API Impurities range.

Pack sizes

CAS number652-37-9

FormulaC₉H₁₀N₄O₄

Molar mass238.2 g/mol

Physical formSolid

HS code38229090

InChIKeyHCYFGRCYSCXKNQ-UHFFFAOYSA-N

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

About Acephylline

Acephylline belongs to the Theophylline reference-standard family in the Zemixal catalogue. Key data (Reference Standard): CAS 652-37-9, formula C9H10N4O4 and molar mass 238.2 g/mol. It is handled as a solid.

Use cases we see most often

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

Safe handling

It carries the GHS signal word Warning (H302, H315, H319 and H335), so wear gloves and eye protection and work with good ventilation.

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

Reference standards for Theophylline

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

Theophylline 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 Acephylline
Product name	Acephylline
Catalogue number	ZX-020453
CAS number	652-37-9
IUPAC name	2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid
Molecular formula	C₉H₁₀N₄O₄
Molar mass	238.2 g/mol
Exact mass	238.0702
Grade	Reference Standard
Physical form	Solid
XLogP3	-0.8
H-bond donors / acceptors	1 / 5
Topological polar surface area	95.7 Å²
HS code	38229090
InChIKey	HCYFGRCYSCXKNQ-UHFFFAOYSA-N
SMILES	CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)O
PubChem CID	69550
Synonyms	Theophylline 7-Acetic Acid, Theophylline-7-acetic Acid, Acefylline, Theophyllineacetic acid, 7-(Carboxymethyl)theophylline, 7-Theophyllineacetic acid, 7-Theophyllinylacetic acid, caffeine carboxylic acid, Doxophylline metabolite m2, 7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-, 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxopurine-7-acetic acid, Purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-

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

Safety and GHS hazards

Irritant or harmful

Signal word Warning

H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation

Precautionary statements P261, P264, P264 + P265, P270, P271, P280, P301 + P317, P302 + P352, P304 + P340, P305 + P351 + P338, P319, P321, P330, P332 + P317, P337 + P317, P362 + P364, P403 + P233, P405, P501

Classification summarised from public GHS notifications. It can vary with grade and concentration, so always follow the SDS supplied with your lot.

Pack sizes

Pack sizes of Acephylline
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 Acephylline

Which CAS number identifies Acephylline?

Acephylline is registered under CAS 652-37-9. You may also see it listed as Theophylline 7-Acetic Acid, Theophylline-7-acetic Acid, Acefylline. Our catalogue number for this item is ZX-020453.

What are the formula and molar mass of Acephylline?

For Acephylline, its formula is C9H10N4O4 and its molar mass is 238.2 g/mol. The systematic (IUPAC) name is 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid. InChIKey HCYFGRCYSCXKNQ-UHFFFAOYSA-N lets you match it in any structure database.

How is Acephylline used in pharmaceutical QC?

Acephylline is a characterised reference material linked to Theophylline. 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 Acephylline?

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 Acephylline?

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 Acephylline to my country?

Yes. Because Acephylline is classed as hazardous, it travels in UN-approved packaging as dangerous goods under IATA or IMDG rules, with the export paperwork your broker needs.

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