Analyte Name

2-Pyrrolidinyl-3-acetyl Desmorpholinylrocuronium Bromide

CAS Number

1190105-66-8

Molecular Formula

C34 H55 N2 O4 . Br

Molecular Weight

635.72

Accurate Mass

634.3345

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]([C@@H]4OC(=O)C)[N+]5(CC=C)CCCC5)[C@@]2(C)C[C@@H]1N6CCCC6

InChI

/p-1/t25-,26+,27-,28-,29-,30-,31-,32-,33-,34-, /m0./s1, 1H/q+1, /h6,25-32H,1,7-22H2,2-5H3, InChI=1S/C34H55N2O4.BrH/c1-6-17-36(18-9-10-19-36)30-21-28-26-12-11-25-20-31(39-23(2)37)29(35-15-7-8-16-35)22-34(25,5)27(26)13-14-33(28,4)32(30)40-24(3)38

IUPAC

[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-acetyloxy-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

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

API Family

Rocuronium Bromide; Rocuronium

Purity

>95% (HPLC)