Products 96946-46-2

CAS 96946-46-2 appears in our catalog under these names: Atracurium Besylate Impurity 3, (R)-trans-Atracurium Besylate (>85%). Offered by: Chemat Brand, TRC. Available pack sizes: on request, 10mg.

Atracurium Besylate Impurity 3
Chemat Brand
  • size: on request
  • Variants: 1
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(R)-trans-Atracurium Besylate (>85%)
TRC
  • size: 10mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

Benzenesulfonate;5-[3-[(1R,2S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyloxy]pentyl 3-[(1R,2S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate (CAS 96946-46-2) is a chemical compound with the molecular formula C65H82N2O18S2 and a molecular weight of 1243.5 g/mol. IUPAC name: benzenesulfonate;5-[3-[(1R,2S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyloxy]pentyl 3-[(1R,2S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate. InChIKey: XXZSQOVSEBAPGS-RCTGWIMVSA-L.

Identity
Molecular formulaC65H82N2O18S2
Molecular weight1243.5 g/mol
IUPAC namebenzenesulfonate;5-[3-[(1R,2S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyloxy]pentyl 3-[(1R,2S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate
InChIKeyXXZSQOVSEBAPGS-RCTGWIMVSA-L
SMILESC[N@+]1(CCC2=CC(=C(C=C2[C@H]1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=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: (R)-trans-Atracurium Besylate (>85%), Cisatracurium Besylate EP Impurity G, Atracurium Impurity 51, Atracurium EP Impurity G, Atracurium Besylate Impurity 3
Related forms of this compound
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]pentyl 3-[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate C65H82N2O18S2
benzenesulfonate;5-[3-[(1R,2S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyloxy]pentyl 3-[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate C65H82N2O18S2