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CAS 123333-49-3

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8H-Purin-8-one, 2,6-diamino-7,9-dihydro-, sulfate, hydrate (2:1:4)

Description:
The chemical substance known as "8H-Purin-8-one, 2,6-diamino-7,9-dihydro-, sulfate, hydrate (2:1:4)" with CAS number 123333-49-3 is a purine derivative characterized by its complex structure, which includes a purine base with amino groups at the 2 and 6 positions and a keto group at the 8 position. This compound is typically encountered in a hydrated form, indicating the presence of water molecules in its crystalline structure. The sulfate component suggests that it may have applications in biological systems or pharmaceuticals, potentially influencing its solubility and reactivity. The presence of amino groups indicates that it may participate in hydrogen bonding and other interactions, making it relevant in biochemical pathways. Its specific hydration ratio implies a defined stoichiometry that could affect its stability and bioavailability. Overall, this compound is of interest in medicinal chemistry and biochemistry, particularly in the context of nucleic acid metabolism and related therapeutic applications.
Formula:C5H6N6OH2O4S·H2O
InChI:InChI=1S/C5H6N6O.H2O4S.H2O/c6-2-1-3(10-4(7)9-2)11-5(12)8-1;1-5(2,3)4;/h(H6,6,7,8,9,10,11,12);(H2,1,2,3,4);1H2
InChI key:InChIKey=TVQRRINASOIUAZ-UHFFFAOYSA-N
SMILES:NC1=C2C(NC(=O)N2)=NC(N)=N1.S(=O)(=O)(O)O.O
Synonyms:
  • 2,6-diamino-7,9-dihydro-8H-purin-8-one
  • 8H-Purin-8-one, 2,6-diamino-1,7-dihydro-, sulfate (2:1), dihydrate
  • 8H-Purin-8-one, 2,6-diamino-7,9-dihydro-, sulfate, hydrate (2:1:4)
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