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Reference substances

Reference substances

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General information

Inventory

EC number:
205-230-7
EC name:
2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazoniol-5-yl]ethyl dihydrogen diphosphate
CAS number:
136-09-4

No inventory information available

Reference substance information

IUPAC name:
3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(hydrogen phosphonatooxy)(hydroxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium
Synonyms
Names:
2-[3-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazoniol-5-yl]ethyl dihydrogen diphosphate

CAS information

CAS number:
136-09-4

Related substances

Identifiers of related substances
Identifier:
CAS number
Identity:
68684-55-9

Molecular and structural information

Molecular formula:
C12H18N4O7P2S
Molecular weight:
ca. 424.306
SMILES notation:
[O-]P(=O)(O)OP(=O)(O)OCCc2sc[n+](Cc1cnc(C)nc1N)c2C
InChl:
InChI=1S/C12H18N4O7P2S/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/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21)
Structural formula:
Chemical structure