Products 64228-81-5

CAS 64228-81-5 appears in our catalog under these names: Atracurium Besylate (Mixture of Isomers), Atracurium Besylate (cis-Monoquatenary), Atracurium Besylate, >95% (HPLC), Atracurium Besilate, Atracurium besylate/ 99.71% (existing batch purity). Offered by: Chemat Brand, TRC, Mikromol, LoGiCal, TargetMol. Available pack sizes: on request, 10mg, 1mg, 5mg, 100mg, 250mg, 25mg, 50mg.

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

Atracurium besylate is the bisbenzenesulfonate salt of atracurium. It has a role as a nicotinic antagonist and a muscle relaxant. It is a quaternary ammonium salt and an organosulfonate salt. It contains an atracurium.

Source: ChEBI

Identity
Molecular formulaC65H82N2O18S2
Molecular weight1243.5 g/mol
IUPAC namebenzenesulfonate;5-[3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyloxy]pentyl 3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate
InChIKeyXXZSQOVSEBAPGS-UHFFFAOYSA-L
SMILESC[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=O)CC[N+]4(CCC5=CC(=C(C=C5C4CC6=CC(=C(C=C6)OC)OC)OC)OC)C.C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)S(=O)(=O)[O-]

Computed by PubChem (NCBI)