Edonentan monohydrate
[CAS# 264609-13-4]

Identification

• Name: Edonentan monohydrate
• Synonyms: N-[[2-[2-[(4,5-Dimethylisoxazol-3-Yl)Sulfamoyl]Phenyl]-5-Oxazol-2-Yl-Phenyl]Methyl]-N,3,3-Trimethyl-Butanamide Hydrate; N-[[2-[2-[(4,5-Dimethyl-3-Isoxazolyl)Sulfamoyl]Phenyl]-5-(2-Oxazolyl)Phenyl]Methyl]-N,3,3-Trimethylbutanamide Hydrate; N-[2-[2-[(4,5-Dimethylisoxazol-3-Yl)Sulfamoyl]Phenyl]-5-Oxazol-2-Yl-Benzyl]-N,3,3-Trimethyl-Butyramide Hydrate
• Molecular Formula: C₂₈H₃₄N₄O₆S
• Molecular Weight: 554.66
• CAS Registry Number: 264609-13-4
• SMILES: C2=C([S](=O)(=O)NC1=NOC(=C1C)C)C(=CC=C2)C3=CC=C(C=C3CN(C(=O)CC(C)(C)C)C)C4=NC=CO4.O
• InChI: 1S/C28H32N4O5S.H2O/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);1H2
• InChIKey: VRUJTPHFVRXEPB-UHFFFAOYSA-N

Properties

• Boiling point: 732.9°C at 760 mmHg (Cal.)
• Flash point: 397.1°C (Cal.)