Analyte Name

17-Keto Vecuronium Bromide

CAS Number

50587-93-4

Molecular Formula

C32 H53 N2 O3 . Br

Molecular Weight

593.68

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]3C[C@@H](C4=O)[N+]5(C)CCCCC5)[C@@]2(C)C[C@@H]1N6CCCCC6

InChI

InChI=1S/C32H53N2O3.BrH/c1-22(35)37-29-19-23-11-12-24-25(32(23,3)21-27(29)33-15-7-5-8-16-33)13-14-31(2)26(24)20-28(30(31)36)34(4)17-9-6-10-18-34;/h23-29H,5-21H2,1-4H3;1H/q+1;/p-1/t23-,24+,25-,26-,27-,28-,29-,31-,32-;/m0./s1

IUPAC

[(2S,3S,5S,8R,9S,10S,13S,14S,16S)-10,13-dimethyl-16-(1-methylpiperidin-1-ium-1-yl)-17-oxo-2-piperidin-1-yl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate;bromide

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat