CISATRACURIUM BESYLATE 3-METHYLPENTANED&

cas: 1193104-80-1 — see every product listed under this CAS number, including other names

CISATRACURIUM BESYLATE 3-METHYLPENTANED& (CAS 1193104-80-1) is a chemical reagent available from Chemat. Available pack sizes: 25MG. Offered by: Sigma-Aldrich.

brandSigma-Aldrich
catalog number1A05800-25MG
cas1193104-80-1
size25MG
availability availability
Documents: Safety Data Sheet (MSDS)
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Available pack sizes

brand size price
Sigma-Aldrich 25MG 3694.00 Pln

properties

purityNo data
delivery time1-2 weeks (only if in stock, to check click on availability)
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

Also listed as

Cisatracurium Besylate EP Impurity K Chemat Brand CAS 1193104-80-1
(R,cis)-7-Methyl Atracurium Dibesylate TRC CAS 1193104-80-1