Metescufylline
[CAS# 15518-82-8]

Identification

• Name: Metescufylline
• Synonyms: 7-(2-Diethylaminoethyl)-1,3-Dimethyl-Purine-2,6-Dione; 2-(7-Hydroxy-4-Methyl-2-Oxo-Chromen-6-Yl)Oxyacetic Acid; 7-(2-Diethylaminoethyl)-1,3-Dimethylpurine-2,6-Dione; 2-[(7-Hydroxy-4-Methyl-2-Oxo-6-Chromenyl)Oxy]Acetic Acid; 7-(2-Diethylaminoethyl)-1,3-Dimethyl-Xanthine; 2-(7-Hydroxy-2-Keto-4-Methyl-Chromen-6-Yl)Oxyacetic Acid
• Molecular Formula: C₂₅H₃₁N₅O₈
• Molecular Weight: 529.55
• CAS Registry Number: 15518-82-8
• EINECS: 239-550-3
• SMILES: C1=NC2=C([N]1CCN(CC)CC)C(N(C)C(N2C)=O)=O.C3=C(OCC(O)=O)C(=CC4=C3C(=CC(O4)=O)C)O
• InChI: 1S/C13H21N5O2.C12H10O6/c1-5-17(6-2)7-8-18-9-14-11-10(18)12(19)16(4)13(20)15(11)3;1-6-2-12(16)18-9-4-8(13)10(3-7(6)9)17-5-11(14)15/h9H,5-8H2,1-4H3;2-4,13H,5H2,1H3,(H,14,15)
• InChIKey: UEIODQNTKDNZDV-UHFFFAOYSA-N

Properties

• Boiling point: 460.2°C at 760 mmHg (Cal.)
• Flash point: 232.1°C (Cal.)