Atracurium Besylate Impurity 34

cas: 96946-44-0 — see every product listed under this CAS number, including other names

Atracurium Besylate Impurity 34 (CAS 96946-44-0) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-A200334
cas96946-44-0
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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,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate (CAS 96946-44-0) 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,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate. InChIKey: XXZSQOVSEBAPGS-VTMDYJILSA-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,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate
InChIKeyXXZSQOVSEBAPGS-VTMDYJILSA-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: (1R,2R,1'R,2'S)-Atracurium Besylate, Cisatracurium Besylate EP Impurity H, Atracurium besylate, (1R,2R,1'R,2'S)-(+/-)-, Atracurium Impurity 53, (1R,2R,1'R,2'S)-Atracurium Besylate, >90%, Cisatracurium EP Impurity H, starbld0039382, Atracurium Besylate Impurity 34, 96946-44-0 (Absolute), 1599467-97-6 (Relative)
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,2S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate C65H82N2O18S2

Also listed as

(1R,2R,1’R,2’S)-Atracurium Besylate, >90% TRC CAS 96946-44-0