Products 1193104-79-8

CAS 1193104-79-8 is the registry number for Atracurium Impurity 50 Diiodide. Offered by: Chemat Brand. Available pack sizes: on request.

Atracurium Impurity 50 Diiodide
Chemat Brand
  • size: on request
  • Variants: 1
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Structural formula: {0} (CAS {1})

[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 (CAS 1193104-79-8) is a chemical compound with the molecular formula C54H74N2O12+2 and a molecular weight of 943.2 g/mol. IUPAC name: [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. InChIKey: IRCARIJAUYKSGC-MJQWJGMHSA-N.

Identity
Molecular formulaC54H74N2O12+2
Molecular weight943.2 g/mol
IUPAC name[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
InChIKeyIRCARIJAUYKSGC-MJQWJGMHSA-N
SMILESCC(CCOC(=O)CC[N@+]1(CCC2=CC(=C(C=C2[C@H]1CC3=CC(=C(C=C3)OC)OC)OC)OC)C)CCOC(=O)CC[N@+]4(CCC5=CC(=C(C=C5[C@H]4CC6=CC(=C(C=C6)OC)OC)OC)OC)C

Computed by PubChem (NCBI)

Synonyms: Atracurium Impurity 11, Cisatracurium Besilate Impurity K [Ep Impurity]
Isomers (same molecular formula)
5-[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 C54H74N2O12+2