Products 2922228-35-9

CAS 2922228-35-9 is the registry number for Atracurium cis-Quaternary Ester Benzensulfonate. Offered by: TRC. Available pack sizes: 250mg.

Atracurium cis-Quaternary Ester Benzensulfonate
TRC
  • size: 250mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

Benzenesulfonate;tert-butyl 3-[(1S,2S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate (CAS 2922228-35-9) is a chemical compound with the molecular formula C34H45NO9S and a molecular weight of 643.8 g/mol. IUPAC name: benzenesulfonate;tert-butyl 3-[(1S,2S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate. InChIKey: QDYZRXDXBZSEKV-XLGQKKSSSA-M.

Identity
Molecular formulaC34H45NO9S
Molecular weight643.8 g/mol
IUPAC namebenzenesulfonate;tert-butyl 3-[(1S,2S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate
InChIKeyQDYZRXDXBZSEKV-XLGQKKSSSA-M
SMILESCC(C)(C)OC(=O)CC[N@@+]1(CCC2=CC(=C(C=C2[C@@H]1CC3=CC(=C(C=C3)OC)OC)OC)OC)C.C1=CC=C(C=C1)S(=O)(=O)[O-]

Computed by PubChem (NCBI)

Synonyms: Atracurium Impurity 114
Related forms of this compound
benzenesulfonate;tert-butyl 3-[(1R,2S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate C34H45NO9S
benzenesulfonate;tert-butyl 3-[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate C34H45NO9S