Benfotiamine

Analyte Name

Benfotiamine

CAS Number

22457-89-2

Molecular Formula

C19 H23 N4 O6 P S

Molecular Weight

466.45

Accurate Mass

466.1076

SMILES

C\C(=C(\CCOP(=O)(O)O)/SC(=O)c1ccccc1)\N(Cc2cnc(C)nc2N)C=O

InChI

InChI=1S/C19H23N4O6PS/c1-13(23(12-24)11-16-10-21-14(2)22-18(16)20)17(8-9-29-30(26,27)28)31-19(25)15-6-4-3-5-7-15/h3-7,10,12H,8-9,11H2,1-2H3,(H2,20,21,22)(H2,26,27,28)/b17-13+

IUPAC

S-[(E)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-phosphonooxypent-2-en-3-yl] benzenecarbothioate

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API; Impurity

Product Format

Neat

API Family

Benfotiamine; Vitamin B1

Purity

>95% (HPLC)