Account Sodium 2-((4R)-4-((3R,7R,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)acetate hydrate
- Catalog No. :
- ACOJCY219
- CAS No. :
- 207614-05-9
- Molecular Formula :
- C26H44NNaO7
- Molecular Weight :
- 505.63
IUPAC Name:sodium ((4R)-4-((3R,7R,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyl)glycinate hydrate
![Sodium 2-((4R)-4-((3R,7R,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)acetate hydrate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | Sodium 2-((4R)-4-((3R,7R,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)acetate hydrate |
|---|---|
| IUPAC Name | sodium ((4R)-4-((3R,7R,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyl)glycinate hydrate |
| MDL No. | MFCD09037360 |
| Molecular Formula | C26H44NNaO7 |
| Molecular Weight | 505.63 |
| SMILES | C[C@H](CCC(=O)NCC(=O)[O-])[C@H]1CCC2C3C(C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)CC1C[C@H]3O.O.[Na+] |
| InChI Key | YWROUPFMHKARON-UDUZYWCBSA-M |
| Synonym | N-[(3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxy-24-oxocholan-24-yl]-glycine monosodium salt monohydrate;SODIUM GLYCOCHOLATE HYDRATE, 98;Glycine, N-[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]-, monosodium salt, monohydrate;Glycine, N-[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]-, sodium salt, hydrate (1:1:1);Sodium 2-((4R)-4-((3R,7R,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)acetate hydrate;Glycocholic acid sodium salt monohydrate |
| CAS No. | 207614-05-9 |
Safety Data
- Pictogram
- Signal Word
- Achtung
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P305+P351+P338
Synthetic Route by SureRoute
2. ACOJCY219 Molecular Building Block Synthetic Route
N-[(3α,5β,7α,12α)-3,7,12-Trihydroxy-24-oxocholan-24-yl]-Glycine sodium salt xhydrate
Sodium ((4R)-4-((3R,7R,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyl)glycinate
((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)pentanoyl)glycine