Chemical Compound

145613-12-3

CAS Registry Number 145613-12-3
145613-12-3 chemical structure
Primary Record

145613-12-3

In stock
8,073 g
Purity
98.9 %
CAS
145613-12-3

Compound Identifiers & Properties

CAS
145613-12-3
PubChem CID
156592462
SMILES
C1[C@@H](N=C(S1)C2=NC3=C(S2)C=C(C=C3)OP(=O)(O)O)C(=O)[O-].C1[C@@H](N=C(S1)C2=NC3=C(S2)C=C(C=C3)OP(=O)(O)O)C(=O)[O-].C1[C@@H](N=C(S1)C2=NC3=C(S2)C=C(C=C3)OP(=O)(O)O)C(=O)[O-].[Na+].[Na+].[Na+]
Canonical SMILES
O=C([O-])[C@H]1CSC(c2nc3ccc(OP(=O)(O)O)cc3s2)=N1.O=C([O-])[C@H]1CSC(c2nc3ccc(OP(=O)(O)O)cc3s2)=N1.O=C([O-])[C@H]1CSC(c2nc3ccc(OP(=O)(O)O)cc3s2)=N1.[Na+].[Na+].[Na+]

Names & Synonyms

  • 145613-12-3
  • 4-Thiazolecarboxylic acid, 4,5-dihydro-2-[6-(phosphonooxy)-2-benzothiazolyl]-, trisodium salt, (S)- (9CI)
  • trisodium tris((4S)-2-[6-(phosphonooxy)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylate)