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Reference substances

Reference substances

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General information

Inventory

EC number:
208-536-9
EC name:
Monophosphothiamine
CAS number:
532-40-1

No inventory information available

Reference substance information

IUPAC name:
3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]-1,3-thiazol-3-ium chloride
Synonyms
Names:
3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]-1,3-thiazol-3-ium chloride

CAS information

CAS number:
532-40-1

Related substances

Identifiers of related substances
Identifier:
CAS number
Identity:
273724-21-3

Molecular and structural information

Molecular formula:
C12H18N4O4PS.Cl
Molecular weight:
380.788
SMILES notation:
[Cl-].Cc1ncc(C[n+]2csc(CCOP(=O)(O)O)c2C)c(N)n1
InChl:
InChI=1/C12H17N4O4PS.ClH/c1-8-11(3-4-20-21(17,18)19)22-7-16(8)6-10-5-14-9(2)15-12(10)13;/h5,7H,3-4,6H2,1-2H3,(H3-,13,14,15,17,18,19);1H
Structural formula:
Chemical structure