Taurocholic Acid D8 Sodium Salt

Compound Identifiers & Properties

CAS

1351996-69-4

PubChem CID

131872651

SMILES

[2H]C1(C[C@@]2([C@H]3C[C@@H]([C@]4([C@H]([C@@H]3[C@@H](C[C@@H]2C([C@@H]1O)([2H])[2H])O)CC[C@@H]4[C@H](C)CCC(=O)NC([2H])([2H])C([2H])([2H])S(=O)(=O)O)C)O)C)[2H].[Na]

Canonical SMILES

[2H]C1([2H])C[C@@]2(C)[C@H](C[C@@H](O)[C@@H]3[C@@H]2C[C@H](O)[C@]2(C)[C@@H]([C@H](C)CCC(=O)NC([2H])([2H])C([2H])([2H])S(=O)(=O)O)CC[C@@H]32)C([2H])([2H])[C@@H]1O.[Na]