Account Glycocholic acid xhydrate
- Catalog No. :
- ACLURB654
- CAS No. :
- 1192657-83-2
- Molecular Formula :
- C26H45NO7
- Molecular Weight :
- 483.65
IUPAC Name:((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 hydrate
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Product Information
| Product Name | Glycocholic acid xhydrate |
|---|---|
| IUPAC Name | ((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 hydrate |
| MDL No. | MFCD06408004 |
| Molecular Formula | C26H45NO7 |
| Molecular Weight | 483.65 |
| SMILES | O.[H][C@@]12CC[C@H]([C@H](C)CCC(=O)NCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])C[C@H](O)CC[C@]12C |
| InChI Key | WDKPRHOCWKLQPK-ZUHYDKSRSA-N |
| Synonym | 1192657-83-2 | Glycocholic acid hydrate | 2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-Trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid;hydrate | MLS001304001 | Gly |
| CAS No. | 1192657-83-2 |
| PubChem CID | 24856164 |
Safety Data
- Pictogram
- Signal Word
- Danger
- Hazard Statement(s)
- H301+H311+H331
- Precautionary Statement(s)
- P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312-P304+P340+P311-P361+P364-P403+P233-P405-P501
Synthetic Route by SureRoute
2. ACLURB654 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
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