Thiamine Benzoate Hydrochloride
Product Code
TRC-T344125-500MG
CAS Number
Product Format
Neat
Molecular Formula
C19H21N4O2S • HCl • Cl
Molecular Weight
441.37
Product Categories
Alternate CAS Number
Product Information
Chemical Data
Analyte Name
Thiamine Benzoate Hydrochloride
CAS Number
1052-32-0
Molecular Formula
C19H21N4O2S • HCl • Cl
Molecular Weight
441.37
Accurate Mass
440.09
SMILES
NC1=NC(C)=NC=C1C[N+]2=CSC(CCOC(C3=CC=CC=C3)=O)=C2C.[Cl-].Cl
InChI
InChI=1S/C19H21N4O2S.2ClH/c1-13-17(8-9-25-19(24)15-6-4-3-5-7-15)26-12-23(13)11-16-10-21-14(2)22-18(16)20;;/h3-7,10,12H,8-9,11H2,1-2H3,(H2,20,21,22);2*1H/q+1;;/p-1
IUPAC
3-((4-amino-2-methylpyrimidin-5-yl)methyl)-5-(2-(benzoyloxy)ethyl)-4-methylthiazol-3-ium chloride hydrochloride
Alternate CAS Number
Free Base: 10051-12-4
Product Data
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat
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