Dacuronium Bromide Impurity 1

cas: 41261-71-6 — see every product listed under this CAS number, including other names

Dacuronium Bromide Impurity 1 (CAS 41261-71-6) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberULD228002
cas41261-71-6
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Structural formula: {0} (CAS {1})

[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-hydroxy-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate dibromide (CAS 41261-71-6) is a chemical compound with the molecular formula C33H58Br2N2O3 and a molecular weight of 690.6 g/mol. IUPAC name: [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-hydroxy-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate dibromide. InChIKey: GVDVBILPKKKNQM-GMMLHHOXSA-L.

Identity
Molecular formulaC33H58Br2N2O3
Molecular weight690.6 g/mol
IUPAC name[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-hydroxy-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate dibromide
InChIKeyGVDVBILPKKKNQM-GMMLHHOXSA-L
SMILESCC(=O)O[C@H]1[C@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@@H]([C@H](C4)O)[N+]5(CCCCC5)C)C)C)[N+]6(CCCCC6)C.[Br-].[Br-]

Computed by PubChem (NCBI)

Synonyms: 3-Deacetyl-17-acetyldacuronium bromide, 3-Hydroxy Vecuronium Dibromide, Vecuronium Impurity 1, 3-Desacetyl Pancuronium Bromide, Pancuronium Bromide EP Impurity B, PANCURONIUM BROMIDE IMPURITY B [EP IMPURITY], Pancuronium Bromide EP Impurity C (Pancuronium Bromide USP Related Compound A)
Isomers (same molecular formula)
[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-hydroxy-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate dibromide C33H58Br2N2O3

Also listed as

Pancuronium Bromide Impurity 2 Hubei YoungXin CAS 41261-71-6
3-Hydroxy Vecuronium Dibromide TRC CAS 41261-71-6
Pancuronium bromide related compound B Biosynth CAS 41261-71-6