(R,R)-N,N'-Didemethyl Atracurium Oxalate

cas: 96687-52-4 — see every product listed under this CAS number, including other names

(R,R)-N,N'-Didemethyl Atracurium Oxalate (CAS 96687-52-4) is a chemical reagent available from Chemat. Available pack sizes: 250mg. Offered by: TRC.

brandTRC
catalog numberTRC-D439495-250MG
cas96687-52-4
size250mg
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properties

purityNo data
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Structural formula: {0} (CAS {1})

5-[3-[(1R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propanoyloxy]pentyl 3-[(1R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propanoate;oxalic acid (CAS 96687-52-4) is a chemical compound with the molecular formula C55H70N2O20 and a molecular weight of 1079.1 g/mol. IUPAC name: 5-[3-[(1R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propanoyloxy]pentyl 3-[(1R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propanoate;oxalic acid. InChIKey: NGJVDNJEQWIMBU-DBGKOQSZSA-N.

Identity
Molecular formulaC55H70N2O20
Molecular weight1079.1 g/mol
IUPAC name5-[3-[(1R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propanoyloxy]pentyl 3-[(1R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propanoate;oxalic acid
InChIKeyNGJVDNJEQWIMBU-DBGKOQSZSA-N
SMILESCOC1=C(C=C(C=C1)C[C@@H]2C3=CC(=C(C=C3CCN2CCC(=O)OCCCCCOC(=O)CCN4CCC5=CC(=C(C=C5[C@H]4CC6=CC(=C(C=C6)OC)OC)OC)OC)OC)OC)OC.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Computed by PubChem (NCBI)

Synonyms: Atracurium Besylate EP impurity B (Oxalate Salt), CisAtracurium Oxalate, Cisatracurium Besilate EP Impurity R Dioxalate
Related forms of this compound
5-[3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propanoyloxy]pentyl 3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propanoate;oxalic acid C55H70N2O20

Also listed as

Cisatracurium Besilate EP Impurity R Dioxalate Chemat Brand CAS 96687-52-4
(R)-Pentane-1,5-diyl bis(3-((R)-1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)propanoate) dioxalate, 95% AmBeed CAS 96687-52-4