Xantifibrate
[CAS# 36921-54-7]

Identification

• Name: Xantifibrate
• Synonyms: 2-(4-Chlorophenoxy)-2-Methyl-Propanoic Acid; 7-[2-Hydroxy-3-(2-Hydroxyethyl-Methyl-Amino)Propyl]-1,3-Dimethyl-Purine-2,6-Dione; 2-(4-Chlorophenoxy)-2-Methyl-Propionic Acid; 7-[2-Hydroxy-3-(2-Hydroxyethyl-Methyl-Amino)Propyl]-1,3-Dimethyl-Xanthine; 7-(2-Hydroxy-3-((2-Hydroxyethyl)Methylamino)Propyl)Theophyllin-2-(4-Chlorophenoxy)-2-Methylpropionat
• Molecular Formula: C₂₃H₃₂ClN₅O₇
• Molecular Weight: 525.99
• CAS Registry Number: 36921-54-7
• SMILES: C1=NC2=C([N]1CC(CN(CCO)C)O)C(N(C)C(N2C)=O)=O.C3=CC(=CC=C3OC(C(O)=O)(C)C)Cl
• InChI: 1S/C13H21N5O4.C10H11ClO3/c1-15(4-5-19)6-9(20)7-18-8-14-11-10(18)12(21)17(3)13(22)16(11)2;1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h8-9,19-20H,4-7H2,1-3H3;3-6H,1-2H3,(H,12,13)
• InChIKey: WQRIIYUJYVGZJW-UHFFFAOYSA-N

Properties

• Boiling point: 589.3°C at 760 mmHg (Cal.)
• Flash point: 310.2°C (Cal.)