Account sodium 2-((R)-4-((3R,5R,6S,7R,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonate
- Catalog No. :
- ACPRHG541
- CAS No. :
- 145022-92-0
- Molecular Formula :
- C26H44NNaO7S
- Molecular Weight :
- 537.70
IUPAC Name:sodium 2-((R)-4-((3R,5R,6S,7R,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonate
![sodium 2-((R)-4-((3R,5R,6S,7R,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethylhexadecahydro-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-((R)-4-((3R,5R,6S,7R,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonate |
|---|---|
| IUPAC Name | sodium 2-((R)-4-((3R,5R,6S,7R,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonate |
| Molecular Formula | C26H44NNaO7S |
| Molecular Weight | 537.70 |
| SMILES | C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@@H](O)[C@@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.[Na+] |
| InChI Key | NYXROOLWUZIWRB-GPHZYVDLSA-M |
| Synonym | Tauro-β-muricholic acid sodium;T-βMCA sodium;Tauro-β-muricholic Acid sodium salt;2-[[(3α,5β,6β,7β)-3,6,7-trihydroxy-24-oxocholan-24-yl]amino]-ethanesulfonicacid,monosodiumsalt;Tauro-β-Muricholic Acid-[d5] Sodium Salt;D4-Tauro-β-muricholic Acid Sodium Salt;Tauro-muricholic Acid (sodium salt) |
| CAS No. | 145022-92-0 |
Synthetic Route by SureRoute
2. ACPRHG541 Molecular Building Block Synthetic Route
sodium 2-((R)-4-((3R,5R,6S,7S,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonate
2-((R)-4-((3R,5R,6S,7S,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid
2-((4R)-4-((3R,5R,6S,7R,10R,13R,17R)-3,6,7-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid