Ecastolol
[CAS# 77695-52-4]

Identification

• Name: Ecastolol
• Synonyms: N-[4-[3-[2-(3,4-Dimethoxyphenyl)Ethylamino]-2-Hydroxy-Propoxy]-3-Isoxazol-5-Yl-Phenyl]Butanamide; N-[4-[3-[2-(3,4-Dimethoxyphenyl)Ethylamino]-2-Hydroxypropoxy]-3-(5-Isoxazolyl)Phenyl]Butanamide; N-[4-[3-[2-(3,4-Dimethoxyphenyl)Ethylamino]-2-Hydroxy-Propoxy]-3-Isoxazol-5-Yl-Phenyl]Butyramide
• Molecular Formula: C₂₆H₃₃N₃O₆
• Molecular Weight: 483.56
• CAS Registry Number: 77695-52-4
• SMILES: C1=CC(=C(C=C1NC(CCC)=O)C2=CC=NO2)OCC(O)CNCCC3=CC(=C(C=C3)OC)OC
• InChI: 1S/C26H33N3O6/c1-4-5-26(31)29-19-7-9-22(21(15-19)23-11-13-28-35-23)34-17-20(30)16-27-12-10-18-6-8-24(32-2)25(14-18)33-3/h6-9,11,13-15,20,27,30H,4-5,10,12,16-17H2,1-3H3,(H,29,31)
• InChIKey: CGUIWXDBHIFQJV-UHFFFAOYSA-N

Properties

• Density: 1.202g/cm³ (Cal.)
• Boiling point: 732.499°C at 760 mmHg (Cal.)
• Flash point: 396.801°C (Cal.)