Products 5868-06-4

CAS 5868-06-4 appears in our catalog under these names: Fentonium bromide, Fentonium (bromide), 98.75%. Offered by: GLPBio, MedChemExpress. Available pack sizes: 1mg, 10mg, 5mg, 10mM (in 1ml dmso), 25 mg, 5 mg, 50 mg, 100 mg.

Structural formula: {0} (CAS {1})

[8-methyl-8-[2-oxo-2-(4-phenylphenyl)ethyl]-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate bromide (CAS 5868-06-4) is a chemical compound with the molecular formula C31H34BrNO4 and a molecular weight of 564.5 g/mol. IUPAC name: [8-methyl-8-[2-oxo-2-(4-phenylphenyl)ethyl]-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate bromide. InChIKey: MPLNGQBULSHWQW-UHFFFAOYSA-M.

Identity
Molecular formulaC31H34BrNO4
Molecular weight564.5 g/mol
IUPAC name[8-methyl-8-[2-oxo-2-(4-phenylphenyl)ethyl]-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate bromide
InChIKeyMPLNGQBULSHWQW-UHFFFAOYSA-M
SMILESC[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)CC(=O)C4=CC=C(C=C4)C5=CC=CC=C5.[Br-]

Computed by PubChem (NCBI)