THEOPHYLLOL
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Molecular Structure
Other Information
- CAS Registry Number: 8002-89-9
- Safety Statements: Poison by ingestion, intraperitoneal, intravenous, and subcutaneous routes. When heated to decomposition it emits toxic fumes of NOx and Na2O. See also THEOPHYLLINE.
- Molecular Weight: 262.197809
- InchiKey: JDYRVPRLEPMNDB-UHFFFAOYSA-M
- InChI: InChI=1S/C7H8N4O2.C2H4O2.Na/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;1-2(3)4;
/h3H,1-2H3,(H,8,9);1H3,(H,3,4);/q;;+1/p-1 - Molecular Formula: C9H11N4NaO4