Products 1157852-02-2

CAS 1157852-02-2 is the registry number for Fasitibant (chloride). Offered by: MedChemExpress. Available pack sizes: Get quote.

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

[(4S)-4-amino-5-[4-[4-[[2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylamino]oxane-4-carbonyl]piperazin-1-yl]-5-oxopentyl]-trimethylazanium chloride (CAS 1157852-02-2) is a chemical compound with the molecular formula C36H49Cl3N6O6S and a molecular weight of 800.2 g/mol. IUPAC name: [(4S)-4-amino-5-[4-[4-[[2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylamino]oxane-4-carbonyl]piperazin-1-yl]-5-oxopentyl]-trimethylazanium chloride. InChIKey: ZNHJDJYKDVGQSH-JMAPEOGHSA-M.

Identity
Molecular formulaC36H49Cl3N6O6S
Molecular weight800.2 g/mol
IUPAC name[(4S)-4-amino-5-[4-[4-[[2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylamino]oxane-4-carbonyl]piperazin-1-yl]-5-oxopentyl]-trimethylazanium chloride
InChIKeyZNHJDJYKDVGQSH-JMAPEOGHSA-M
SMILESCC1=CC(=NC2=C1C=CC=C2OCC3=C(C=CC(=C3Cl)S(=O)(=O)NC4(CCOCC4)C(=O)N5CCN(CC5)C(=O)[C@H](CCC[N+](C)(C)C)N)Cl)C.[Cl-]

Computed by PubChem (NCBI)