Products 58-55-9

CAS 58-55-9 appears in our catalog under these names: Theophylline, 98%, Theophylline (Dimenhydrinate EP Impurity A, Diprophylline EP Impurity B), Theophiline, Theophylline, >95% (HPLC), Theophylline. Offered by: Combi-blocks, Chemat Brand, TRC, Mikromol, Lipomed. Available pack sizes: 100g, 500g, 1kg, 5g, 25g, on request, 100mg, 1g.

Structural formula: {0} (CAS {1})

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.

Source: ChEBI

Identity
Molecular formulaC7H8N4O2
Molecular weight180.16 g/mol
IUPAC name1,3-dimethyl-7H-purine-2,6-dione
InChIKeyZFXYFBGIUFBOJW-UHFFFAOYSA-N
SMILESCN1C2=C(C(=O)N(C1=O)C)NC=N2

Computed by PubChem (NCBI)