Tauroursodeoxycholic acid
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
Also Known As: Tauroursodeoxycholic acid, Chenyltaurine, Chenodeoxycholyltaurine, TAUROCHENODEOXYCHOLIC ACID, TUDCA Soduim Salt, Taurochenodeoxycholate, 12-Desoxycholyltaurine, Taurochenodesoxycholic acid, Taurine chenodeoxycholate, Sodium tauroursodeoxycholate, Tauroursodeoxycholic acid dihydrate, CTK4J4596, 4CH-024082, I04-0104, 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 | 499.29675 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 123.93 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 499.29675 |
| Heavy Atoms | 34 |
| Complexity | 863 |
Chemical Identifiers
| CAS Number | 14605-22-2 |
|---|---|
| SMILES | CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C |
Product Overview
Tauroursodeoxycholic acid (CAS 14605-22-2), with molecular formula C26H45NO6S and molecular weight 499.29675 g/mol. IUPAC: 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.
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