Sodium Tauroursodeoxycholate (TUDC)
| Catalog Number | BL-M000514 |
| CAS Number | 35807-85-3 |
| Description | Sodium Tauroursodeoxycholate (TUDC) is a water-soluble bile salt and an endoplasmic reticulum (ER) stress inhibitor, used for the treatment of gallstones and liver cirrhosis. |
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| IUPAC Name | sodium;2-[[(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-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]ethanesulfonate |
| Synonyms | Sodium tauroursodeoxycholate; Tauroursodeoxycholic acid sodium salt; Tauroursodeoxycholate Sodium |
| Molecular Weight | 521.69 |
| Molecular Formula | C26H44NNaO6S |
| Melting Point | 173-175°C (dec.) |
| Purity | 98% |
| Solubility | DMSO: 100 mg/mL (191.68 mM); Water: 100 mg/mL (191.68 mM); Ethanol: 71 mg/mL warmed (136.09 mM) |
| Appearance | Off-White to Pale Beige Solid |
| Shelf Life | 2 years if stored properly |
| Storage | 3 years -20°C powder; 6 months -80°C in solvent |
| Percent Composition | C 59.86%, H 8.50%, N 2.68%, Na 4.41%, O 18.40%, S 6.15% |
| Canonical SMILES | CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C.[Na+] |
| InChI | InChI=1S/C26H45NO6S.Na/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29;/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33);/q;+1/p-1/t16-,17+,18-,19-,20+,21+,22+,24+,25+,26-;/m1./s1 |
| InChI Key | IYPNVUSIMGAJFC-JUWYWQLMSA-M |
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