Vestphylline
[CAS# 102367-57-7]

Identification

• Name: Vestphylline
• Synonyms: [1-[(Diisobutylamino)Methyl]-2-(1,3-Dimethyl-2,6-Dioxo-Purin-7-Yl)Ethyl] Benzoate; Benzoic Acid [1-[(Diisobutylamino)Methyl]-2-(1,3-Dimethyl-2,6-Dioxo-7-Purinyl)Ethyl] Ester; Benzoic Acid [1-[(Diisobutylamino)Methyl]-2-(2,6-Diketo-1,3-Dimethyl-Purin-7-Yl)Ethyl] Ester
• Molecular Formula: C₂₅H₃₅N₅O₄
• Molecular Weight: 469.58
• CAS Registry Number: 102367-57-7
• SMILES: C2=NC1=C(C(N(C(N1C)=O)C)=O)[N]2CC(CN(CC(C)C)CC(C)C)OC(=O)C3=CC=CC=C3
• InChI: 1S/C25H35N5O4/c1-17(2)12-29(13-18(3)4)14-20(34-24(32)19-10-8-7-9-11-19)15-30-16-26-22-21(30)23(31)28(6)25(33)27(22)5/h7-11,16-18,20H,12-15H2,1-6H3
• InChIKey: SQBWCQROZHGTAU-UHFFFAOYSA-N

Properties

• Density: 1.204g/cm³ (Cal.)
• Boiling point: 634.156°C at 760 mmHg (Cal.)
• Flash point: 337.326°C (Cal.)