4-(2-Benzoyloxy-3-(1,3-Dimethyl-7-Xanthinyl)Propyl)-1-Piperazinecarboxylic Acid Ethylester
[CAS# 19977-14-1]

Identification

• Name: 4-(2-Benzoyloxy-3-(1,3-Dimethyl-7-Xanthinyl)Propyl)-1-Piperazinecarboxylic Acid Ethylester
• Synonyms: Ethyl 4-[2-(Benzoyloxy)-3-(1,3-Dimethyl-2,6-Dioxo-Purin-7-Yl)Propyl]Piperazine-1-Carboxylate; 4-[3-(1,3-Dimethyl-2,6-Dioxo-7-Purinyl)-2-(Oxo-Phenylmethoxy)Propyl]-1-Piperazinecarboxylic Acid Ethyl Ester; 4-[2-(Benzoyloxy)-3-(2,6-Diketo-1,3-Dimethyl-Purin-7-Yl)Propyl]Piperazine-1-Carboxylic Acid Ethyl Ester
• Molecular Formula: C₂₄H₃₀N₆O₆
• Molecular Weight: 498.54
• CAS Registry Number: 19977-14-1
• SMILES: C1=CC=CC=C1C(=O)OC(CN2CCN(CC2)C(=O)OCC)C[N]3C=NC4=C3C(N(C(N4C)=O)C)=O
• InChI: 1S/C24H30N6O6/c1-4-35-24(34)29-12-10-28(11-13-29)14-18(36-22(32)17-8-6-5-7-9-17)15-30-16-25-20-19(30)21(31)27(3)23(33)26(20)2/h5-9,16,18H,4,10-15H2,1-3H3
• InChIKey: SBCDETAPNIEMGJ-UHFFFAOYSA-N

Properties

• Density: 1.375g/cm³ (Cal.)
• Boiling point: 703.379°C at 760 mmHg (Cal.)
• Flash point: 379.19°C (Cal.)