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Product Information
Chemical Data
Analyte Name
Thiamine pyrophosphate chloride
CAS Number
154-87-0
Molecular Formula
C12 H19 N4 O7 P2 S . Cl
Molecular Weight
460.77
Accurate Mass
460.0138
SMILES
[Cl-].Cc1ncc(C[n+]2csc(CCOP(=O)(O)OP(=O)(O)O)c2C)c(N)n1
InChI
InChI=1S/C12H18N4O7P2S.ClH/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13, 1H, /h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21)
IUPAC
2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate;chloride
Alternate CAS Number
Thiazolium: 136-08-3; Inner salt: 136-09-4
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
Impurity
Product Format
Neat
API Family
Purity
>95% (HPLC)