8,8'-Ethylenebistheophyline
[CAS# 1784-67-4]

Identification

• Name: 8,8'-Ethylenebistheophyline
• Synonyms: 8-[2-(2,6-Diketo-1,3-Dimethyl-7H-Purin-8-Yl)Ethyl]-1,3-Dimethyl-7H-Purine-2,6-Quinone; 8,8'-Dimethylene-Bis-Theophylline; Brn 1192852
• Molecular Formula: C₁₆H₁₈N₈O₄
• Molecular Weight: 386.37
• CAS Registry Number: 1784-67-4
• SMILES: C(C2=NC1=C(C(N(C(N1C)=O)C)=O)[NH]2)CC4=NC3=C(C(N(C(N3C)=O)C)=O)[NH]4
• InChI: 1S/C16H18N8O4/c1-21-11-9(13(25)23(3)15(21)27)17-7(19-11)5-6-8-18-10-12(20-8)22(2)16(28)24(4)14(10)26/h5-6H2,1-4H3,(H,17,19)(H,18,20)
• InChIKey: AZDQOGJHRRZXFQ-UHFFFAOYSA-N

Properties

• Density: 1.546g/cm³ (Cal.)
• Boiling point: 799.56°C at 760 mmHg (Cal.)
• Flash point: 437.358°C (Cal.)