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Reference substances

Reference substances

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General information

Inventory

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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 dihydrate

CAS information

CAS number:
273724-21-3

Related substances

Identifiers of related substances
Identifier:
CAS number
Identity:
532-40-1

Molecular and structural information

Molecular formula:
C12H22N4O6PS.Cl
Molecular weight:
416.818
SMILES notation:
[Cl-].O.O.O=P(O)(O)OCCc2sc[n+](Cc1cnc(C)nc1N)c2C
InChl:
InChI=1S/C12H17N4O4PS.ClH.2H2O/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;2*1H2
Structural formula:
Chemical structure