Account sodium 2-((4R)-4-((5S,10S,13R,17R)-10,13-dimethyl-3,7,12-trioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonate
- Catalog No. :
- ACIXKX487
- CAS No. :
- 57011-24-2
- Molecular Formula :
- C26H38NNaO7S
- Molecular Weight :
- 531.65
IUPAC Name:sodium 2-((4R)-4-((5S,10S,13R,17R)-10,13-dimethyl-3,7,12-trioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonate
![sodium 2-((4R)-4-((5S,10S,13R,17R)-10,13-dimethyl-3,7,12-trioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | sodium 2-((4R)-4-((5S,10S,13R,17R)-10,13-dimethyl-3,7,12-trioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonate |
|---|---|
| IUPAC Name | sodium 2-((4R)-4-((5S,10S,13R,17R)-10,13-dimethyl-3,7,12-trioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonate |
| Molecular Formula | C26H38NNaO7S |
| Molecular Weight | 531.65 |
| SMILES | C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CCC2C3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)C3CC(=O)[C@@]21C.[Na+] |
| InChI Key | RKSAYDXINPFQGF-PFGONMSQSA-M |
| Synonym | 5-BETA-CHOLANIC ACID-3,7,12-TRIONE N-(2-SULPHOETHYL)-AMIDE SODIUM SALT;5BETA-CHOLANIC ACID-3,7,12-TRIONE 24-N-(2-SULFOETHYL)AMIDE SODIUM;SODIUM TAURODEHYDROCHOLATE;TAURODEHYDROCHOLIC ACID SODIUM SALT;Dehydrocholyltaurine-Na salt;5β-CHOLANIC acid-3, 7, 12-TRIONE N-(2-SULPHOETHYL)-AMIDE SODIUM SALT;Ursodeoxycholic acid impurity 54 |
| CAS No. | 57011-24-2 |
Synthetic Route by SureRoute
2. ACIXKX487 Molecular Building Block Synthetic Route
2-((R)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-3-Hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethanesulfonic acid, sodium salt
2-((R)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-3-Hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid
2-((R)-4-((3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-Dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethanesulfonic acid