Account Sodium 2-((R)-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonate (1:1)
- Catalog No. :
- ACXCPD643
- CAS No. :
- 145-42-6
- Molecular Formula :
- C26H44NNaO7S
- Molecular Weight :
- 537.70
IUPAC Name:sodium 2-((R)-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonate
![Sodium 2-((R)-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonate (1:1) structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | Sodium 2-((R)-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonate (1:1) |
|---|---|
| IUPAC Name | sodium 2-((R)-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonate |
| MDL No. | MFCD00150819 |
| Molecular Formula | C26H44NNaO7S |
| Molecular Weight | 537.70 |
| SMILES | C[C@H](CCC(NCCS(=O)([O-])=O)=O)[C@H]1CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C.[Na+] |
| InChI Key | JAJWGJBVLPIOOH-IZYKLYLVSA-M |
| Synonym | sodium taurocholate | 145-42-6 | Taurocholate sodium | Taurocholate sodium salt | Monosodium N-choloyltaurinate | Taurocholic acid sodium salt | Taurocholic acid (sodium) | M6N3TH81NO | Monosodium taurocholate | 145-42-6 (Sodium) | CHEBI:36276 | Sodium taurocholate hydrate | sod |
| CAS No. | 145-42-6 |
| PubChem CID | 23666345 |
Synthetic Route by SureRoute
2. ACXCPD643 Molecular Building Block Synthetic Route
Sodium 2-((R)-4-((3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethanesulfonate
Sodium 2-((R)-4-((3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethanesulfonate xhydrate
2-((R)-4-((3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-Dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethanesulfonic acid