Sodium hyodeoxycholateProduct ingredient for Hyodeoxycholic Acid
- Name
- Sodium hyodeoxycholate
- Drug Entry
- Hyodeoxycholic Acid
Hyodeoxycholic Acid has been used in trials studying the treatment of Hypercholesterolemia.
- Accession Number
- DBSALT002661
- Structure
Structure for Sodium hyodeoxycholate (DBSALT002661)
- Synonyms
- Sodium hyodesoxycholate
- UNII
- HBY71R8HO2
- CAS Number
- 10421-49-5
- Weight
- Average: 414.562
Monoisotopic: 414.27460402 - Chemical Formula
- C24H39NaO4
- InChI Key
- DUYSCILLIVEITB-IHUGHQDSSA-M
- InChI
- InChI=1S/C24H40O4.Na/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2;/h14-21,25-26H,4-13H2,1-3H3,(H,27,28);/q;+1/p-1/t14-,15-,16?,17-,18?,19?,20+,21+,23-,24-;/m1./s1
- IUPAC Name
- sodium (4R)-4-[(1R,5S,5aR,7R,9aR,11aR)-5,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoate
- SMILES
- [Na+].C[C@H](CCC([O-])=O)[C@H]1CCC2C3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
- External Links
- ChemSpider
- 180357
- Predicted Properties
Property Value Source Water Solubility 0.0136 mg/mL ALOGPS logP 3.99 ALOGPS logP 3.71 Chemaxon logS -4.5 ALOGPS pKa (Strongest Acidic) 4.79 Chemaxon pKa (Strongest Basic) -2.7 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 80.59 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 120.11 m3·mol-1 Chemaxon Polarizability 45.99 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon