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Reference substances

Reference substances

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General information

Inventory

EC number:
208-537-4
EC name:
Thiamine nitrate
CAS number:
532-43-4

No inventory information available

Reference substance information

IUPAC name:
3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium nitrate
Synonyms
Names:
Thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl) methyl]-5-(2-hydroxyethyl)-4-methyl-, nitrate (salt)
Thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-, nitrate (salt)

CAS information

CAS number:
532-43-4

Molecular and structural information

Molecular formula:
C12H17N4OS.NO3
Molecular weight:
327.36
SMILES notation:
Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1.[O-][N+](=O)[O-]
InChl:
InChI=1/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
Structural formula:
Chemical structure