Analyte Name

3-Acetyl-d3 Rocuronium Bromide

Molecular Formula

C34H52D3BrN2O5

Molecular Weight

654.73

Accurate Mass

653.35

SMILES

[H][C@@]12CC[C@@]3([H])C[C@H](OC(C([2H])([2H])[2H])=O)[C@@H](N4CCOCC4)C[C@]3(C)[C@@]1([H])CC[C@@]5(C)[C@@]2([H])C[C@H]([N+]6(CC=C)CCCC6)[C@@H]5OC(C)=O.[Br-]

InChI

InChI=1S/C34H55N2O5.BrH/c1-6-15-36(16-7-8-17-36)30-21-28-26-10-9-25-20-31(40-23(2)37)29(35-13-18-39-19-14-35)22-34(25,5)27(26)11-12-33(28,4)32(30)41-24(3)38;/h6,25-32H,1,7-22H2,2-5H3;1H/q+1;/p-1/t25-,26+,27-,28-,29-,30-,31-,32?,33?,34?;/m0./s1/i2D3;

IUPAC

1-((2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-acetoxy-3-(acetoxy-d3)-10,13-dimethyl-2-morpholinohexadecahydro-1H-cyclopenta[a]phenanthren-16-yl)-1-allylpyrrolidin-1-ium bromide

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat