Chemical Compound

DTXSID30985497

CAS Registry Number 66874-12-2
DTXSID30985497 chemical structure
Primary Record

DTXSID30985497

In stock
3,477 g
Purity
99.2 %
CAS
66874-12-2

Compound Identifiers & Properties

CAS
66874-12-2
PubChem CID
138401097
SMILES
C[C@H](CCC(=NCCS(=O)(=O)[O-])[O-])[C@H]1CCC2[C@@]1(CCC3C2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)OS(=O)(=O)O)C.[Na+].[Na+]
Canonical SMILES
C[C@H](CCC([O-])=NCCS(=O)(=O)[O-])[C@H]1CCC2C3C(CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3OS(=O)(=O)O.[Na+].[Na+]

Names & Synonyms

  • DTXSID30985497
  • Disodium 3-hydroxy-N-(2-sulfonatoethyl)-7-(sulfooxy)cholan-24-imidate
  • 66874-12-2
  • Disodium (8xi,9xi,14xi)-3alpha-hydroxy-N-(2-sulfonatoethyl)-7alpha-(sulfooxy)-5beta-cholan-24-imidate