Carprofilin
[CAS# 101706-05-2]

Identification

• Name: Carprofilin
• Synonyms: Ethyl 4-(3,7-Dimethyl-2,6-Dioxo-Purin-1-Yl)-3-Oxo-Butanoate; 4-(3,7-Dimethyl-2,6-Dioxo-1-Purinyl)-3-Oxobutanoic Acid Ethyl Ester; 4-(2,6-Diketo-3,7-Dimethyl-Purin-1-Yl)-3-Keto-Butyric Acid Ethyl Ester
• Molecular Formula: C₁₃H₁₆N₄O₅
• Molecular Weight: 308.29
• CAS Registry Number: 101706-05-2
• SMILES: C1=NC2=C([N]1C)C(N(C(N2C)=O)CC(CC(=O)OCC)=O)=O
• InChI: 1S/C13H16N4O5/c1-4-22-9(19)5-8(18)6-17-12(20)10-11(14-7-15(10)2)16(3)13(17)21/h7H,4-6H2,1-3H3
• InChIKey: ODVAGOBDSRFERK-UHFFFAOYSA-N

Properties

• Density: 1.434g/cm³ (Cal.)
• Boiling point: 523.648°C at 760 mmHg (Cal.)
• Flash point: 270.493°C (Cal.)