Analyte Name

Bempedoic Acid Dimer Trisodium

Molecular Formula

C38H67O9.3Na

Molecular Weight

736.91

Accurate Mass

736.45

SMILES

CC(CCCCCC(O)CCCCCC(C)(C(OC(CCCCCC(C)(C)C(O[Na])=O)CCCCCC(C)(C(O[Na])=O)C)=O)C)(C(O[Na])=O)C

InChI

InChI=1S/C38H70O9.3Na/c1-35(2,31(40)41)25-17-9-13-21-29(39)22-14-10-20-28-38(7,8)34(46)47-30(23-15-11-18-26-36(3,4)32(42)43)24-16-12-19-27-37(5,6)33(44)45;;;/h29-30,39H,9-28H2,1-8H3,(H,40,41)(H,42,43)(H,44,45);;;/q;3*+1/p-3

IUPAC

Sodium 8-((14-Carboxylato-8-hydroxy-2,2,14-trimethylpentadecanoyl)oxy)-2,2,14,14-tetramethylpentadecanedioate

Country of Origin

CANADA

Product Format

Neat