Pyridofylline
[CAS# 53403-97-7]

Identification

• Name: Pyridofylline
• Synonyms: 4,5-Bis(Hydroxymethyl)-2-Methyl-Pyridin-3-Ol; 2-(1,3-Dimethyl-2,6-Dioxo-Purin-7-Yl)Ethyl Hydrogen Sulfate; 4,5-Bis(Hydroxymethyl)-2-Methyl-3-Pyridinol; 2-(1,3-Dimethyl-2,6-Dioxo-7-Purinyl)Ethyl Hydrogen Sulfate; 2-(2,6-Diketo-1,3-Dimethyl-Purin-7-Yl)Ethyl Hydrogen Sulfate; 2-Methyl-4,5-Dimethylol-Pyridin-3-Ol
• Molecular Formula: C₁₇H₂₃N₅O₉S
• Molecular Weight: 473.46
• CAS Registry Number: 53403-97-7
• EINECS: 258-521-6
• SMILES: C1=NC2=C([N]1CCO[S](O)(=O)=O)C(N(C)C(N2C)=O)=O.C3=C(C(=C(C(=N3)C)O)CO)CO
• InChI: 1S/C9H12N4O6S.C8H11NO3/c1-11-7-6(8(14)12(2)9(11)15)13(5-10-7)3-4-19-20(16,17)18;1-5-8(12)7(4-11)6(3-10)2-9-5/h5H,3-4H2,1-2H3,(H,16,17,18);2,10-12H,3-4H2,1H3
• InChIKey: WXFJHNDXYIDTAF-UHFFFAOYSA-N

Properties

• Boiling point: 897.3°C at 760 mmHg (Cal.)
• Flash point: 496.5°C (Cal.)