Products 119302-91-9

CAS 119302-91-9 appears in our catalog under these names: Rocuronium Bromide , Rocuronium Bromide, >95% (HPLC), Rocuronium bromide/ 99.85% (existing batch purity), Rocuronium Bromide, Rocuronium bromide. Offered by: Chemat Brand, TRC, TargetMol, GLPBio, Biosynth. Available pack sizes: on request, 10mg, 250mg, 50mg, 100mg, 200mg, 500mg, 25mg.

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

Rocuronium bromide is the organic bromide salt of a 5alpha androstane compound having 3alpha-hydroxy-, 17beta-acetoxy-, 2beta-morpholino- and 16beta-N-allyllyrrolidinium substituents. It has a role as a muscle relaxant and a neuromuscular agent. It is a quaternary ammonium salt and an organic bromide salt. It contains a rocuronium. It derives from a hydride of a 5alpha-androstane.

Source: ChEBI

Identity
Molecular formulaC32H53BrN2O4
Molecular weight609.7 g/mol
IUPAC name[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-hydroxy-10,13-dimethyl-2-morpholin-4-yl-16-(1-prop-2-enylpyrrolidin-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 bromide
InChIKeyOYTJKRAYGYRUJK-FMCCZJBLSA-M
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)N5CCOCC5)C)C)[N+]6(CCCC6)CC=C.[Br-]

Computed by PubChem (NCBI)