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Theophylline

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Catalog Number CI-OT-0001
Product Name Theophylline
CAS 58-55-9
Structure
Synonyms 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-
IUPAC Name 1,3-dimethyl-7H-purine-2,6-dione
Molecular Weight 180.16 g/mol
Molecular Formula C7H8N4O2
InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
InChI Key ZFXYFBGIUFBOJW-UHFFFAOYSA-N
Boiling Point 313 °C
Melting Point 271-273 °C
Purity 95%
Density 1.36 g/mL
Appearance Solid
Highest Usage In Residency Products 0.03
Isomeric SMILES CN1C2=C(C(=O)N(C1=O)C)NC=N2
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