Vitamin B1 O-(Succinic Acid-d4)-N-Hydroxy Succinimide

Analyte Name

Vitamin B1 O-(Succinic Acid-d4)-N-Hydroxy Succinimide

Molecular Formula

C20H20D4ClN5O6S

Molecular Weight

501.98

Accurate Mass

501.14

SMILES

NC1=NC(C)=NC=C1C[N+]2=CSC(CCOC(C([2H])(C([2H])(C(ON3C(CCC3=O)=O)=O)[2H])[2H])=O)=C2C.[Cl-]

InChI

InChI=1S/C20H24N5O6S.ClH/c1-12-15(32-11-24(12)10-14-9-22-13(2)23-20(14)21)7-8-30-18(28)5-6-19(29)31-25-16(26)3-4-17(25)27;/h9,11H,3-8,10H2,1-2H3,(H2,21,22,23);1H/q+1;/p-1/i5D2,6D2;

IUPAC

3-((4-amino-2-methylpyrimidin-5-yl)methyl)-5-(2-((4-((2,5-dioxopyrrolidin-1-yl)oxy)-4-oxobutanoyl-2,2,3,3-d4)oxy)ethyl)-4-methylthiazol-3-ium chloride

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat