TUDCA Soduim Salt
2-[4-(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)pentanoylamino]ethanesulfonic acid
| Molecular Formula | C26H45NO6S |
|---|---|
| Molecular Weight | 499.7 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 132.0 A2 |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 499.29675 |
| Heavy Atoms | 34 |
| Complexity | 858.0 |
Chemical Identifiers
| CAS Number | 1808218-24-7 |
|---|---|
| SMILES | CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C |
| InChIKey | BHTRKEVKTKCXOH-UHFFFAOYSA-N |
📖 Product Overview
TUDCA Soduim Salt (CAS: 1808218-24-7) is a chemical compound with molecular formula C26H45NO6S and molecular weight 499.7 g/mol. Its IUPAC systematic name is 2-[4-(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)pentanoylamino]ethanesulfonic acid.
BHTRKEVKTKCXOH-UHFFFAOYSA-N.
SMILES: CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C.
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