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 Structure |
 |
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 |
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