Analyte Name

Dihydro Idebenone (3-13CD3)-4-O-Sulfate Potassium Salt

Molecular Formula

13C C18 D3 H28 K O8 S

Molecular Weight

462.619

Accurate Mass

462.16

SMILES

[2H][13C]([2H])([2H])Oc1c(OC)c(O)c(CCCCCCCCCCO)c(C)c1OS(=O)(=O)O[K]

InChI

InChI=1S/C19H32O8S.K/c1-14-15(12-10-8-6-4-5-7-9-11-13-20)16(21)18(25-2)19(26-3)17(14)27-28(22,23)24;/h20-21H,4-13H2,1-3H3,(H,22,23,24);/q;+1/p-1/i3+1D3;

IUPAC

[4-hydroxy-3-(10-hydroxydecyl)-5-methoxy-2-methyl-6-(trideuterio(113C)methoxy)phenoxy]sulfonyloxypotassium

Unlabelled CAS Number

95233-73-1

SIL Type

Carbon, Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat