Triclofylline
[CAS# 17243-70-8]

Identification

• Name: Triclofylline
• Synonyms: 1,3-Dimethyl-7-[2-(2,2,2-Trichloro-1-Hydroxy-Ethoxy)Ethyl]Purine-2,6-Dione; 1,3-Dimethyl-7-[2-(2,2,2-Trichloro-1-Hydroxy-Ethoxy)Ethyl]Xanthine; Triclofylline
• Molecular Formula: C₁₁H₁₃Cl₃N₄O₄
• Molecular Weight: 371.61
• CAS Registry Number: 17243-70-8
• SMILES: C1=NC2=C([N]1CCOC(C(Cl)(Cl)Cl)O)C(N(C)C(N2C)=O)=O
• InChI: 1S/C11H13Cl3N4O4/c1-16-7-6(8(19)17(2)10(16)21)18(5-15-7)3-4-22-9(20)11(12,13)14/h5,9,20H,3-4H2,1-2H3
• InChIKey: VZKRRCHBLUTMPU-UHFFFAOYSA-N

Properties

• Density: 1.691g/cm³ (Cal.)
• Boiling point: 519.743°C at 760 mmHg (Cal.)
• Flash point: 268.131°C (Cal.)