Products 1193104-80-1

CAS 1193104-80-1 appears in our catalog under these names: Cisatracurium Besylate EP Impurity K, (R,cis)-7-Methyl Atracurium Dibesylate, CISATRACURIUM BESYLATE 3-METHYLPENTANED&. Offered by: Chemat Brand, TRC, Sigma-Aldrich. Available pack sizes: on request, 100mg, 250mg, 25mg.

Cisatracurium Besylate EP Impurity K
Chemat Brand
  • size: on request
  • Variants: 1
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(R,cis)-7-Methyl Atracurium Dibesylate
TRC
  • size: 100mg, 250mg, 25mg
  • Variants: 3
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CISATRACURIUM BESYLATE 3-METHYLPENTANED&
Sigma-Aldrich
  • size: 25MG
  • Variants: 1
from 3694.00
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Structural formula: {0} (CAS {1})

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]-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 1193104-80-1) is a chemical compound with the molecular formula C66H84N2O18S2 and a molecular weight of 1257.5 g/mol. IUPAC name: 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]-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: SQXUBFXOTQVVAJ-XNSDKZDZSA-L.

Identity
Molecular formulaC66H84N2O18S2
Molecular weight1257.5 g/mol
IUPAC namebenzenesulfonate;[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
InChIKeySQXUBFXOTQVVAJ-XNSDKZDZSA-L
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.C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)S(=O)(=O)[O-]

Computed by PubChem (NCBI)

Synonyms: (R,cis)-7-Methyl Atracurium Dibesylate, Cisatracurium Besylate EP Impurity K, Cisatracurium Besilate EP Impurity K Besylate
Isomers (same molecular formula)
benzenesulfonate;6-[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 C66H84N2O18S2