Products 154728-59-3

CAS 154728-59-3 is the registry number for (R)-Nolpitantium. Offered by: MedChemExpress. Available pack sizes: Get quote.

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

1-[(3R)-3-(3,4-dichlorophenyl)-3-[2-(4-phenyl-1-azoniabicyclo[2.2.2]octan-1-yl)ethyl]piperidin-1-yl]-2-(3-propan-2-yloxyphenyl)ethanone chloride (CAS 154728-59-3) is a chemical compound with the molecular formula C37H45Cl3N2O2 and a molecular weight of 656.1 g/mol. IUPAC name: 1-[(3R)-3-(3,4-dichlorophenyl)-3-[2-(4-phenyl-1-azoniabicyclo[2.2.2]octan-1-yl)ethyl]piperidin-1-yl]-2-(3-propan-2-yloxyphenyl)ethanone chloride. InChIKey: NQHFSECYQAQZBN-SJYHNBSJSA-M.

Identity
Molecular formulaC37H45Cl3N2O2
Molecular weight656.1 g/mol
IUPAC name1-[(3R)-3-(3,4-dichlorophenyl)-3-[2-(4-phenyl-1-azoniabicyclo[2.2.2]octan-1-yl)ethyl]piperidin-1-yl]-2-(3-propan-2-yloxyphenyl)ethanone chloride
InChIKeyNQHFSECYQAQZBN-SJYHNBSJSA-M
SMILESCC(C)OC1=CC=CC(=C1)CC(=O)N2CCC[C@@](C2)(CC[N+]34CCC(CC3)(CC4)C5=CC=CC=C5)C6=CC(=C(C=C6)Cl)Cl.[Cl-]

Computed by PubChem (NCBI)