Products 2803857-42-1

CAS 2803857-42-1 is the registry number for cis-Monoacrylate Atracurium Besylate. Offered by: TRC. Available pack sizes: 50mg.

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

Benzenesulfonate;5-prop-2-enoyloxypentyl 3-[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate (CAS 2803857-42-1) is a chemical compound with the molecular formula C38H49NO11S and a molecular weight of 727.9 g/mol. IUPAC name: benzenesulfonate;5-prop-2-enoyloxypentyl 3-[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate. InChIKey: OROOXZDLWOYLAH-HRDILIDUSA-M.

Identity
Molecular formulaC38H49NO11S
Molecular weight727.9 g/mol
IUPAC namebenzenesulfonate;5-prop-2-enoyloxypentyl 3-[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate
InChIKeyOROOXZDLWOYLAH-HRDILIDUSA-M
SMILESC[N@@+]1(CCC2=CC(=C(C=C2[C@H]1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=O)C=C.C1=CC=C(C=C1)S(=O)(=O)[O-]

Computed by PubChem (NCBI)