T

Theophylline

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

C7H8N4O2 Organic Compounds CAS 58-55-9
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Quick Reference
Formula / NotationC7H8N4O2
CAS Number58-55-9
Molecular Weight180.16
Melting Point522 to 525 °F (NTP, 1992)
Densityg/cm³
Solubility1 to 5 mg/mL at 70.7 °F (NTP, 1992)
AppearanceTheophylline is an odorless white crystalline powder. Odorless. Bitter taste. (NTP, 1992)
Also Known As1,3-dimethyl-7H-purine-2,6-dione; 58-55-9; 1,3-Dimethylxanthine; Elixophyllin; Theophyllin; Theolair; Nuelin; Theophylline anhydrous; Elixophylline; Lanophyllin
CategoryOrganic Compounds

What is Theophylline?

Theophylline is a dimethylxanthine having the two methyl groups located at positions 1 and 3. It is structurally similar to caffeine and is found in green and black tea. It has a role as a bronchodilator agent, a vasodilator agent, a drug metabolite, an anti-asthmatic drug, an EC 3.1.4.* (phosphoric diester hydrolase) inhibitor, an immunomodulator, a muscle relaxant, an anti-inflammatory agent, an adenosine receptor antagonist, a fungal metabolite and a human blood serum metabolite.

Formula & Notation

C7H8N4O2

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

Other Names / Synonyms: 1,3-dimethyl-7H-purine-2,6-dione; 58-55-9; 1,3-Dimethylxanthine; Elixophyllin; Theophyllin; Theolair; Nuelin; Theophylline anhydrous; Elixophylline; Lanophyllin

Properties & Characteristics

Appearance: Theophylline is an odorless white crystalline powder. Odorless. Bitter taste. (NTP, 1992). Molecular formula: C7H8N4O2. Molecular weight: 180.16 g/mol. Melting point: 522 to 525 °F (NTP, 1992). Density: g/cm³. Solubility: 1 to 5 mg/mL at 70.7 °F (NTP, 1992). Vapor pressure: negligible. LogP: 0.

Physical Data

PropertyValue
Melting Point522 to 525 °F (NTP, 1992)
Densityg/cm³
Molecular Weight180.16
Solubility1 to 5 mg/mL at 70.7 °F (NTP, 1992)
AppearanceTheophylline is an odorless white crystalline powder. Odorless. Bitter taste. (NTP, 1992)

Uses & Applications

Used as an industrial feedstock, solvent, pharmaceutical intermediate, flavoring agent, or chemical building block.

Safety Information

Flammable or irritant. Many organic compounds are flammable liquids or vapours. Keep away from ignition sources. Consult SDS for specific hazard data.

Always consult the SDS/MSDS before handling any chemical. This information is for educational purposes only.

Key Facts

Term Theophylline
Formula C7H8N4O2
CAS Number 58-55-9
Molecular Weight 180.16
Synonyms 1,3-dimethyl-7H-purine-2,6-dione; 58-55-9; 1,3-Dimethylxanthine; Elixophyllin; Theophyllin; Theolair; Nuelin; Theophylline anhydrous; Elixophylline; Lanophyllin

Frequently Asked Questions

Theophylline is a dimethylxanthine having the two methyl groups located at positions 1 and 3. It is structurally similar to caffeine and is found in green and black tea. It has a role as a bronchodilator agent, a vasodilator agent, a drug metabolite, an anti-asthmatic drug, an EC 3.1.4.* (phosphoric diester hydrolase) inhibitor, an immunomodulator, a muscle relaxant, an anti-inflammatory agent, an adenosine receptor antagonist, a fungal metabolite and a human blood serum metabolite.

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Editorial standards: Chemical data is sourced from peer-reviewed literature, CAS Registry, NIST WebBook, and PubChem. Safety information reflects guidance from OSHA, ECHA, and IAEA. For educational purposes only — always consult official SDS documentation and qualified professionals before handling chemicals.