Products 1193104-85-6

CAS 1193104-85-6 appears in our catalog under these names: Cisatracurium Besylate EP Impurity M, Cisatracurium-20-methyl Dibenzenesulfonate, >95% (HPLC). Offered by: Chemat Brand, TRC. Available pack sizes: on request, 100mg, 10mg, 50mg.

Cisatracurium Besylate EP Impurity M
Chemat Brand
  • size: on request
  • Variants: 1
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Cisatracurium-20-methyl Dibenzenesulfonate, >95% (HPLC)
TRC
  • size: 100mg, 10mg, 50mg
  • Variants: 3
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Structural formula: {0} (CAS {1})

Benzenesulfonate;6-[3-[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyloxy]hexyl 3-[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate (CAS 1193104-85-6) is a chemical compound with the molecular formula C66H84N2O18S2 and a molecular weight of 1257.5 g/mol. IUPAC name: benzenesulfonate;6-[3-[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyloxy]hexyl 3-[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate. InChIKey: ZWUPEORUMORROD-XNSDKZDZSA-L.

Identity
Molecular formulaC66H84N2O18S2
Molecular weight1257.5 g/mol
IUPAC namebenzenesulfonate;6-[3-[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyloxy]hexyl 3-[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate
InChIKeyZWUPEORUMORROD-XNSDKZDZSA-L
SMILESC[N@@+]1(CCC2=CC(=C(C=C2[C@H]1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCCOC(=O)CC[N@+]4(CCC5=CC(=C(C=C5[C@H]4CC6=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)

Synonyms: Cisatracurium-20-methyl Dibenzenesulfonate, Atracurium Impurity 39, Cisatracurium Besylate EP Impurity M, Cisatracurium EP Impurity M Besylate, Cisatracurium besilate impurity M besilate
Isomers (same molecular formula)
benzenesulfonate;[5-[3-[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyloxy]-3-methylpentyl] 3-[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate C66H84N2O18S2