Demethyletofylline clofibrate
[CAS# 54504-75-5]

Identification

• Name: Demethyletofylline clofibrate
• Synonyms: 2-(1,3-Dimethyl-2,6-Dioxo-Purin-7-Yl)Ethyl 2-(4-Chlorophenoxy)Propanoate; 2-(4-Chlorophenoxy)Propanoic Acid 2-(1,3-Dimethyl-2,6-Dioxo-7-Purinyl)Ethyl Ester; 2-(4-Chlorophenoxy)Propionic Acid 2-(2,6-Diketo-1,3-Dimethyl-Purin-7-Yl)Ethyl Ester
• Molecular Formula: C₁₈H₁₉ClN₄O₅
• Molecular Weight: 406.82
• CAS Registry Number: 54504-75-5
• SMILES: C1=CC(=CC=C1OC(C(=O)OCC[N]2C=NC3=C2C(N(C(N3C)=O)C)=O)C)Cl
• InChI: 1S/C18H19ClN4O5/c1-11(28-13-6-4-12(19)5-7-13)17(25)27-9-8-23-10-20-15-14(23)16(24)22(3)18(26)21(15)2/h4-7,10-11H,8-9H2,1-3H3
• InChIKey: DJYSFEOIXLHCFO-UHFFFAOYSA-N

Properties

• Density: 1.426g/cm³ (Cal.)
• Boiling point: 615.434°C at 760 mmHg (Cal.)
• Flash point: 326.003°C (Cal.)