API reference

Theophylline anhydrous

CAS number
58-55-9
Molecular formula
C7H8N4O2
Molecular weight
180.16 g/mol
Theophylline anhydrous — 2D structure
2D structure (PubChem)

About this molecule

Theophylline is a natural alkaloid derivative of xanthine isolated from the plants Camellia sinensis and Coffea arabica. Theophylline appears to inhibit phosphodiesterase and prostaglandin production, regulate calcium flux and intracellular calcium distribution, and antagonize adenosine. Physiologically, this agent relaxes bronchial smooth muscle, produces vasodilation (except in cerebral vessels), stimulates the CNS, stimulates cardiac muscle, induces diuresis, and increases gastric acid secretion; it may also suppress inflammation and improve contractility of the diaphragm. (NCI04)

Source: NCI Thesaurus (NCIt), via PubChem.

Identifiers

IUPAC name
1,3-dimethyl-7H-purine-2,6-dione
InChIKey
ZFXYFBGIUFBOJW-UHFFFAOYSA-N
SMILES
CN1C2=C(C(=O)N(C1=O)C)NC=N2
Other CAS numbers recorded
75448-53-2 · 49746-06-7 · 50857-74-4 · 8061-56-1
PubChem CID
2153

Also known as

theophylline · 1,3-Dimethylxanthine · Elixophyllin · Theophyllin · Theolair · Nuelin · Theophylline anhydrous · Elixophylline

Chemical data on this page is drawn from PubChem (National Library of Medicine) and is provided for identification only. Hanpars does not hold stock of every substance listed; availability, grade, documentation and regulatory status are confirmed per enquiry.

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