Vitamin B1 Mononitrate (Thiamine Mononitrate) (P)

Analyte Name

Thiamine Mononitrate

CAS Number

532-43-4

Molecular Formula

C12 H17 N4 O S . N O3

Molecular Weight

327.36

Accurate Mass

327.1001

SMILES

Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1.[O-][N+](=O)[O-]

InChI

InChI=1S/C12H17N4OS.NO3/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;2-1(3)4/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);/q+1;-1

IUPAC

2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;nitrate

Alternate CAS Number

Free base: 70-16-6

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

UNITED STATES

Tariff Code

29362200

Product Format

Neat