WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 318856

CAS#: 58-55-9 (anhydrous)

Description: Theophylline is a drug used in therapy for respiratory diseases such as chronic obstructive pulmonary disease (COPD) and asthma under a variety of brand names. As a member of the xanthine family, it bears structural and pharmacological similarity to theobromine and caffeine. Like other methylated xanthine derivatives, theophylline is both a competitive nonselective phosphodiesterase inhibitor, which raises intracellular cAMP, activates PKA, inhibits TNF-alpha and inhibits leukotriene synthesis, and reduces inflammation and innate immunity nonselective adenosine receptor antagonist, antagonizing A1, A2, and A3 receptors almost equally, which explains many of its cardiac effects.

Chemical Structure

CAS# 58-55-9 (anhydrous)

Theoretical Analysis

MedKoo Cat#: 318856
Name: Theophylline
CAS#: 58-55-9 (anhydrous)
Chemical Formula: C7H8N4O2
Exact Mass: 180.06
Molecular Weight: 180.167
Elemental Analysis: C, 46.67; H, 4.48; N, 31.10; O, 17.76

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Related CAS #: 5967-84-0 (hydrate), 58-55-9 (anhydrous),

Synonym: Theophylline, 1,3-dimethylxanthine, Accurbron; Aerobin; Aerolate; Afonilum; Retard; Anhydrous; Aquaphyllin; Armophylline.

IUPAC/Chemical Name: 1,3-dimethyl-7H-purine-2,6-dione


InChi Code: InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)

SMILES Code: O=C(N1C)N(C)C2=C(NC=N2)C1=O

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO, not in water

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

Product Data:

Preparing Stock Solutions

The following data is based on the product molecular weight 180.167000000000000000000000000000 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL

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