Fentonium bromide
[CAS# 5868-06-4]

Identification

• Name: Fentonium bromide
• Synonyms: [8-Methyl-8-[2-Oxo-2-(4-Phenylphenyl)Ethyl]-8-Azoniabicyclo[3.2.1]Octan-3-Yl] 3-Hydroxy-2-Phenyl-Propanoate Bromide; 3-Hydroxy-2-Phenylpropanoic Acid [8-Methyl-8-[2-Oxo-2-(4-Phenylphenyl)Ethyl]-8-Azoniabicyclo[3.2.1]Octan-3-Yl] Ester Bromide; 3-Hydroxy-2-Phenyl-Propionic Acid [8-[2-Keto-2-(4-Phenylphenyl)Ethyl]-8-Methyl-8-Azoniabicyclo[3.2.1]Octan-3-Yl] Ester Bromide
• Molecular Formula: C₃₁H₃₄BrNO₄
• Molecular Weight: 564.52
• CAS Registry Number: 5868-06-4
• EINECS: 227-520-2
• SMILES: C1=CC(=CC=C1C(C[N+]2(C)C3CCC2CC(C3)OC(=O)C(CO)C4=CC=CC=C4)=O)C5=CC=CC=C5.[Br-]
• InChI: 1S/C31H34NO4.BrH/c1-32(20-30(34)25-14-12-23(13-15-25)22-8-4-2-5-9-22)26-16-17-27(32)19-28(18-26)36-31(35)29(21-33)24-10-6-3-7-11-24;/h2-15,26-29,33H,16-21H2,1H3;1H/q+1;/p-1
• InChIKey: MPLNGQBULSHWQW-UHFFFAOYSA-M