Products 155418-06-7

CAS 155418-06-7 appears in our catalog under these names: Nolpitantium besilate, SR140333B. Offered by: TargetMol, MedChemExpress. Available pack sizes: 25mg, 50mg, 100mg, Get quote.

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

Benzenesulfonate;1-[(3S)-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 (CAS 155418-06-7) is a chemical compound with the molecular formula C43H50Cl2N2O5S and a molecular weight of 777.8 g/mol. IUPAC name: benzenesulfonate;1-[(3S)-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. InChIKey: PQRLQZNKDQQMBC-LSYPWIJNSA-M.

Identity
Molecular formulaC43H50Cl2N2O5S
Molecular weight777.8 g/mol
IUPAC namebenzenesulfonate;1-[(3S)-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
InChIKeyPQRLQZNKDQQMBC-LSYPWIJNSA-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.C1=CC=C(C=C1)S(=O)(=O)[O-]

Computed by PubChem (NCBI)