Diniprofylline
[CAS# 17692-30-7]

Identification

• Name: Diniprofylline
• Synonyms: [1-[(1,3-Dimethyl-2,6-Dioxo-Purin-7-Yl)Methyl]-2-(Pyridine-3-Carbonyloxy)Ethyl] Pyridine-3-Carboxylate; 3-Pyridinecarboxylic Acid [1-[(1,3-Dimethyl-2,6-Dioxo-7-Purinyl)Methyl]-2-[Oxo-(3-Pyridyl)Methoxy]Ethyl] Ester; Nicotinic Acid [1-[(2,6-Diketo-1,3-Dimethyl-Purin-7-Yl)Methyl]-2-(Pyridine-3-Carbonyloxy)Ethyl] Ester
• Molecular Formula: C₂₂H₂₀N₆O₆
• Molecular Weight: 464.44
• CAS Registry Number: 17692-30-7
• EINECS: 241-682-1
• SMILES: C1=NC4=C([N]1CC(OC(C2=CC=CN=C2)=O)COC(C3=CC=CN=C3)=O)C(N(C)C(N4C)=O)=O
• InChI: 1S/C22H20N6O6/c1-26-18-17(19(29)27(2)22(26)32)28(13-25-18)11-16(34-21(31)15-6-4-8-24-10-15)12-33-20(30)14-5-3-7-23-9-14/h3-10,13,16H,11-12H2,1-2H3
• InChIKey: ZMXGPGZXYJCCHZ-UHFFFAOYSA-N

Properties

• Density: 1.455g/cm³ (Cal.)
• Boiling point: 735.511°C at 760 mmHg (Cal.)
• Flash point: 398.623°C (Cal.)