Edonentan
[CAS# 210891-04-6]

Identification

• Name: Edonentan
• Synonyms: N-[[2-[2-[(4,5-Dimethylisoxazol-3-Yl)Sulfamoyl]Phenyl]-5-Oxazol-2-Yl-Phenyl]Methyl]-N,3,3-Trimethyl-Butanamide; N-[[2-[2-[(4,5-Dimethyl-3-Isoxazolyl)Sulfamoyl]Phenyl]-5-(2-Oxazolyl)Phenyl]Methyl]-N,3,3-Trimethylbutanamide; N-[2-[2-[(4,5-Dimethylisoxazol-3-Yl)Sulfamoyl]Phenyl]-5-Oxazol-2-Yl-Benzyl]-N,3,3-Trimethyl-Butyramide
• Molecular Formula: C₂₈H₃₂N₄O₅S
• Molecular Weight: 536.64
• CAS Registry Number: 210891-04-6
• SMILES: C1=C(C(=CC=C1C2=NC=CO2)C3=CC=CC=C3[S](=O)(=O)NC4=NOC(=C4C)C)CN(C(CC(C)(C)C)=O)C
• InChI: 1S/C28H32N4O5S/c1-18-19(2)37-30-26(18)31-38(34,35)24-10-8-7-9-23(24)22-12-11-20(27-29-13-14-36-27)15-21(22)17-32(6)25(33)16-28(3,4)5/h7-15H,16-17H2,1-6H3,(H,30,31)
• InChIKey: ORJRYNKVKJAJPY-UHFFFAOYSA-N

Properties

• Density: 1.248g/cm³ (Cal.)
• Boiling point: 732.948°C at 760 mmHg (Cal.)
• Flash point: 397.073°C (Cal.)