Taurochenodeoxycholic acid sodium
Also Known As: Taurochenodeoxycholic acid sodium|Taurochenodeoxycholic acid sodium salt|009T989|2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid; sodium
CAS: 6009-98-9
| Molecular Formula | C26H45NNaO6S |
|---|---|
| Molecular Weight | 522.2865 g/mol |
| LogP | 3.0165 |
| Topological Polar Surface Area | 123.93 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 522.2865 |
| Monoisotopic Mass | 522.2865 |
| Heavy Atoms | 35 |
| Complexity | 869.9033 |
Chemical Identifiers
| CAS Number | 6009-98-9 |
|---|---|
| SMILES | C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C.[Na] |
Product Overview
Taurochenodeoxycholic acid sodium (CAS 6009-98-9), with molecular formula C26H45NNaO6S and molecular weight 522.2865 g/mol.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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