3-Acetoxy 4-Pyrrolidinyl 17-Hydroxy Rocuronium Bromide

Analyte Name

3-Acetoxy 4-Pyrrolidinyl 17-Hydroxy Rocuronium Bromide

Molecular Formula

C32 H53 N2 O3 . Br

Molecular Weight

593.679

Accurate Mass

592.324

SMILES

[Br-].CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)[C@H](C[C@@H]34)[N+]5(CC=C)CCCC5)[C@@]2(C)C[C@@H]1N6CCCC6

InChI

InChI=1S/C32H53N2O3.BrH/c1-5-16-34(17-8-9-18-34)28-20-26-24-11-10-23-19-29(37-22(2)35)27(33-14-6-7-15-33)21-32(23,4)25(24)12-13-31(26,3)30(28)36;/h5,23-30,36H,1,6-21H2,2-4H3;1H/q+1;/p-1/t23-,24+,25-,26-,27-,28-,29-,30-,31-,32-;/m0./s1

IUPAC

[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-hydroxy-10,13-dimethyl-16-(1-prop-2-enylpyrrolidin-1-ium-1-yl)-2-pyrrolidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate;bromide

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat