theophylline

Synonyms: "1,3-dimethylxanthine", "Elixophyllin", "Theophyllin", "Theolair", "Nuelin", "Theophylline anhydrous", "Theocin", "Respbid", "Theo-dur", "Elixophylline", "Pseudotheophylline", "Lanophyllin", "Theovent", "Uniphyl", "Slo-phyllin", "Xantivent", "Theocontin", "Teofyllamin", "Parkophyllin", "Bronkodyl", "Uniphyllin", "Optiphyllin", "Maphylline", "Liquophylline", "Doraphyllin", "Armophylline", "Accurbron", "Theacitin", "Synophylate", "Medaphyllin", "Theofol", "Theobid", "Teolair", "Solosin", "Aerolate", "Theolix", "Theograd", "Elixicon", "Elixex", "Acet-theocin".

Source: Theophylline is one of the most widely prescribed drugs for the treatment of asthma and chronic obstructive pulmonary disease.

Identifiers:

IUPAC Name: 1,3-dimethyl-7H-purine-2,6-dione
CAS Number: 58-55-9
PubChem ID: 2153
InChiKey: ZFXYFBGIUFBOJW-UHFFFAOYSA-N
Canonical SMILES: CN1C2=C(C(=O)N(C1=O)C)NC=N2

Structural Properties:

Molecular Formula: C₇H₈N₄O₂
Molecular Weight: 180.167

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 3
Number of atoms different from hydrogen: 13

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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Morrissey RE, Collins JJ, Lamb JC, 4th, Manus AG, Gulati DK. 1988. Reproductive effects of theophylline in mice and rats. Fundam Appl Toxicol 10(3):525-536. DOI: 10.1016/0272-0590(88)90299-0. URL: https://www.sciencedirect.com/science/article/pii/0272059088902990.