Acephylline

Name: Acephylline
Brand: Vaqora Chemicals
SKU: VQ-021398

About Acephylline

Acephylline is an impurity of Theophylline carrying the CAS registry number 652-37-9. Formula C9H10N4O4, molecular weight 238.2 g/mol. The IUPAC name is 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid. Alternative names: Theophylline 7-Acetic Acid and Theophylline-7-acetic Acid.

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. Under GHS it is labelled “Warning”, so handle it with suitable PPE and consult the SDS.

As a characterised impurity of Theophylline, it is used for analytical method development, method validation (AMV) and routine quality-control testing, and it supports ANDA and DMF regulatory filings. Buyers come mainly from pharmaceutical manufacturing and academic and industrial research.

Available in 10 mg, 25 mg, 50 mg and 100 mg packs, Acephylline is dispatched with a Certificate of Analysis (COA) to destinations worldwide.

Typical applications

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

Industries

Related to Theophylline

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

Theophylline impurities

Specifications & identifiers

Chemical identifiers
Product name	Acephylline
Catalogue No.	VQ-021398
CAS Number	652-37-9
IUPAC name	2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid
Molecular formula	C₉H₁₀N₄O₄
Molecular weight	238.2 g/mol
Exact mass	238.0702
Grade	Reference Standard
HSN code	38229090
InChIKey	HCYFGRCYSCXKNQ-UHFFFAOYSA-N
SMILES	CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)O
PubChem CID	69550

Physical properties
Physical form	Solid
LogP (XLogP3)	-0.8
H-bond donors / acceptors	1 / 5
TPSA	95.7 Å²
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-

Safety & hazard information (GHS)

Harmful / irritant

Signal word: Warning

Hazard statements

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 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 Acephylline?

The CAS Registry Number of Acephylline is 652-37-9. It is also known as Theophylline 7-Acetic Acid, Theophylline-7-acetic Acid, Acefylline.

What is the molecular formula and molecular weight of Acephylline?

Acephylline has the molecular formula C9H10N4O4 and a molecular weight of 238.2 g/mol. Its IUPAC name is 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid.

What is Acephylline used for?

Acephylline 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 Acephylline can I order?

We supply Acephylline 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 Acephylline?

Yes. Every lot of Acephylline 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 Acephylline be shipped internationally?

Yes. Acephylline 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.