Products 1193104-95-8

CAS 1193104-95-8 is the registry number for Atracurium trans-Quaternary Acid. Offered by: TRC. Available pack sizes: 100mg.

Atracurium trans-Quaternary Acid
TRC
  • size: 100mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

Benzenesulfonate;3-[(1R,2S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoic acid (CAS 1193104-95-8) is a chemical compound with the molecular formula C30H37NO9S and a molecular weight of 587.7 g/mol. IUPAC name: benzenesulfonate;3-[(1R,2S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoic acid. InChIKey: ZNKLHWBOCHIRHM-UFABNHQSSA-N.

Identity
Molecular formulaC30H37NO9S
Molecular weight587.7 g/mol
IUPAC namebenzenesulfonate;3-[(1R,2S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoic acid
InChIKeyZNKLHWBOCHIRHM-UFABNHQSSA-N
SMILESC[N@+]1(CCC2=CC(=C(C=C2[C@H]1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)O.C1=CC=C(C=C1)S(=O)(=O)[O-]

Computed by PubChem (NCBI)

Synonyms: Atracurium trans-Quaternary Acid, Cisatracurium Besylate Impurity 56
Related forms of this compound
benzenesulfonate;3-[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoic acid C30H37NO9S