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API Reference Standards

Theophylline

Reference StandardIn stock

Order Theophylline (CAS 58-55-9) online at Zemixal. Request a quote with price, lead time and documents. Packs from 10 mg.

Pack sizes
Theophylline chemical structure
CAS number58-55-9
FormulaC7H8N4O2
Molar mass180.16 g/mol
Physical formSolid
HS code38229090
InChIKeyZFXYFBGIUFBOJW-UHFFFAOYSA-N
IUPAC name1,3-dimethyl-7H-purine-2,6-dione

About Theophylline

Theophylline is supplied by Zemixal as a characterised reference material for Theophylline analysis. For your records (Reference Standard), the material is defined by CAS 58-55-9, formula C7H8N4O2 and molar mass 180.16 g/mol. It is handled as a solid.

Use cases we see most often

  • Identification & assay
  • Method development & validation
  • QC reference material

Standard pack sizes are 10 mg, 25 mg, 50 mg, 100 mg and 250 mg, and custom quantities are quoted on request. 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

  • Identification & assay
  • Method development & validation
  • QC reference material

Applications

Pharmaceutical Manufacturing and QCResearch Labs and Universities

Specifications and identifiers

Specifications of Theophylline
Product nameTheophylline
Catalogue numberZX-006855
CAS number58-55-9
IUPAC name1,3-dimethyl-7H-purine-2,6-dione
Molecular formulaC7H8N4O2
Molar mass180.16 g/mol
Exact mass180.0647
GradeReference Standard
Physical formSolid
H-bond donors / acceptors1 / 3
Topological polar surface area69.3 Ų
HS code38229090
InChIKeyZFXYFBGIUFBOJW-UHFFFAOYSA-N
SMILESCN1C2=C(C(=O)N(C1=O)C)NC=N2
PubChem CID2153
Synonyms3,9-Dihydro-1,3-dimethyl-1H-purine-2,6-dione, 1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione, 1,3-Dimethyl-3,7-dihydro-purine-2,6-dione, 1,3-Dimethylxanthine, Accurbron, Aerobin, Armophylline, Asmax, Bronkodyl, Theophyl, Theoplus, Theostat

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

Safety and GHS hazards

GHS08 Health hazard
Health hazard

Signal word Danger

Precautionary statements P203, P280, P318, 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 Theophylline
10 mgQuoted on request
25 mgQuoted on request
50 mgQuoted on request
100 mgQuoted on request
250 mgQuoted on request
500 mgQuoted on request
1 gQuoted 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

Which CAS number identifies Theophylline?
Theophylline is registered under CAS 58-55-9. You may also see it listed as 3,9-Dihydro-1,3-dimethyl-1H-purine-2,6-dione, 1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione, 1,3-Dimethyl-3,7-dihydro-purine-2,6-dione. Our catalogue number for this item is ZX-006855.
What are the formula and molar mass of Theophylline?
For Theophylline, its formula is C7H8N4O2 and its molar mass is 180.16 g/mol. The systematic (IUPAC) name is 1,3-dimethyl-7H-purine-2,6-dione. InChIKey ZFXYFBGIUFBOJW-UHFFFAOYSA-N lets you match it in any structure database.
How is Theophylline used in pharmaceutical QC?
Theophylline 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 Theophylline?
This listing is Reference Standard grade. Standard packs are 10 mg, 25 mg, 50 mg, 100 mg, 250 mg, 500 mg. Larger quantities and custom packing can be quoted on request.
Which documents come with Theophylline?
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 to my country?
Yes. Because Theophylline 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.

Other grades with CAS 58-55-9

More Theophylline standards

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