Analyte Name

3,17-Dihydroxy Vecuronium Dibromide

CAS Number

15500-65-9

Molecular Formula

C31H56N2O2. 2Br

Molecular Weight

648.6

Accurate Mass

646.27

SMILES

[H][C@@](C[C@@](CC[C@]1([H])[C@]2([H])CC[C@@]3(C)[C@@]1([H])C[C@@]([N+]4(C)CCCCC4)([H])[C@]3([H])O)([H])[C@]2(C)C5)(O)[C@@]5([H])[N+]6(C)CCCCC6.[Br-].[Br-]

InChI

InChI=1S/C31H56N2O2.2BrH/c1-30-14-13-24-23(25(30)20-26(29(30)35)32(3)15-7-5-8-16-32)12-11-22-19-28(34)27(21-31(22,24)2)33(4)17-9-6-10-18-33;;/h22-29,34-35H,5-21H2,1-4H3;2*1H/q+2;;/p-2/t22-,23+,24-,25-,26-,27-,28-,29-,30-,31-;;/m0../s1

IUPAC

1,1'-((2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3,17-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-2,16-diyl)bis(1-methylpiperidin-1-ium) bromide

Alternate CAS Number

43021-46-1

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat