3-O,4-O-Dibenzoylisoproterenol
[CAS# 80186-86-3]

Identification

• Name: 3-O,4-O-Dibenzoylisoproterenol
• Synonyms: [2-Benzoyloxy-5-[1-Hydroxy-2-(Isopropylamino)Ethyl]Phenyl] Benzoate Hydrobromide; Benzoic Acid [2-Benzoyloxy-5-[1-Hydroxy-2-(Isopropylamino)Ethyl]Phenyl] Ester Hydrobromide; [5-[1-Hydroxy-2-(Propan-2-Ylamino)Ethyl]-2-(Phenylcarbonyloxy)Phenyl] Benzoate Hydrobromide
• Molecular Formula: C₂₅H₂₆BrNO₅
• Molecular Weight: 500.39
• CAS Registry Number: 80186-86-3
• SMILES: [H+].C1=C(C(O)CNC(C)C)C=CC(=C1OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3.[Br-]
• InChI: 1S/C25H25NO5.BrH/c1-17(2)26-16-21(27)20-13-14-22(30-24(28)18-9-5-3-6-10-18)23(15-20)31-25(29)19-11-7-4-8-12-19;/h3-15,17,21,26-27H,16H2,1-2H3;1H
• InChIKey: XIVDRQWJRAETSE-UHFFFAOYSA-N

Properties

• Boiling point: 615.2°C at 760 mmHg (Cal.)
• Flash point: 325.9°C (Cal.)