sodium 2-[(3,12-dihydroxy-24-oxocholan-24-yl)amino]ethanesulfonate

Compound Identifiers & Properties

CAS

1180-95-6

PubChem CID

133109124

SMILES

C[C@@H](CCC(=O)NCCS(=O)(=O)[O-])[C@@H]1CC[C@H]2[C@]1([C@@H](C[C@@H]3[C@@H]2CC[C@@H]4[C@]3(CC[C@@H](C4)O)C)O)C.[Na+]

Canonical SMILES

C[C@@H](CCC(=O)NCCS(=O)(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@@]4(C)[C@@H]3C[C@@H](O)[C@]21C.[Na+]