Chemical Compound

Tox21_500093

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Tox21_500093 chemical structure
Primary Record

Tox21_500093

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
118705468
SMILES
CSC1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H](C([C@H](O3)COP(=O)([O-])OP(=O)([O-])[O-])O)O)N.[Na+].[Na+].[Na+]
Canonical SMILES
CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])C(O)[C@H]3O)c2n1.[Na+].[Na+].[Na+]

Names & Synonyms

  • Tox21_500093
  • NCGC00260778-01
  • 2-(Methylthio)adenosine 5'-diphosphate trisodium salt hydrate