(-)-Acebutolol
[CAS# 68107-82-4]

Identification

• Name: (-)-Acebutolol
• Synonyms: N-[3-Acetyl-4-[(2S)-2-Hydroxy-3-(Isopropylamino)Propoxy]Phenyl]Butanamide; N-[3-Acetyl-4-[(2S)-2-Hydroxy-3-(Isopropylamino)Propoxy]Phenyl]Butyramide; N-[3-Ethanoyl-4-[(2S)-2-Hydroxy-3-(Propan-2-Ylamino)Propoxy]Phenyl]Butanamide
• Molecular Formula: C₁₈H₂₈N₂O₄
• Molecular Weight: 336.43
• CAS Registry Number: 68107-82-4
• SMILES: [C@H](COC1=C(C(C)=O)C=C(NC(=O)CCC)C=C1)(O)CNC(C)C
• InChI: 1S/C18H28N2O4/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23)/t15-/m0/s1
• InChIKey: GOEMGAFJFRBGGG-HNNXBMFYSA-N

Properties

• Density: 1.119g/cm³ (Cal.)
• Boiling point: 564.131°C at 760 mmHg (Cal.)
• Flash point: 294.976°C (Cal.)