HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Ursodeoxycholsure
UDCA · URSODIOL · Ursodeoxycholic · URSODESOXYCHOLIC ACID · URSODEOXYCHOLATE · Tauroursodiol · 3-alpha,7-beta-dihydroxy-5-beta-cholanoicacid · Urosodeoxycholic Acid
Identifikatoren & physikalische Daten
| CAS No. | 128-13-2 |
|---|---|
| Summenformel | C24H40O4 |
| Durchschnittliche Molmasse | 392,6 g/mol |
| Monoisotopische Masse | 392,29265975 g/mol |
| SMILES | C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |
| InChIKey | RUDATBOHQWOJDD-HEGLNSLBSA-N |
| PubChem CID | 388708 |
| Lokaler Name | Ursodeoxycholsure |
Chemische & physikalische Eigenschaften
| XLogP | 4,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 77,8 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 28 |
| Formalladung | 0 |
| Komplexität | 605 |
| Schmelzpunkt | 203-204 °C (lit.) |
| Siedepunkt | 437.26°C (rough estimate) |
| Dichte | 0.9985 (rough estimate) |
| Brechungsindex | 60.5 ° (C=2, EtOH) |
| Flammpunkt | 9℃ |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | ethanol: 50 mg/mL, clearpractically insoluble |
| Aggregatzustand | Solid. Powder. |
| pKa (Säurekonstante) | pKa 5.04±0.04(H2O t = 25.0±0.1 I = 0.00)(Approximate) |
| Farbe | White - almost white. |
| Merck | 14,9889 |
| BRN | 3219888 |
| Kosmetik-Inhaltsstoffe Funktionen | SKIN CONDITIONING - MISCELLANEOUSSKIN PROTECTING |
| InChIKey | RUDATBOHQWOJDD-UZVSRGJWSA-N |
| SMILES | C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |
| LogP (Verteilungskoeffizient) | 3-3.38 at 20℃ |
| CAS Datenbank | 128-13-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| F | 10 |
|---|---|
| Wassergefährdungsklasse (WGK) | 2 |
| UN-Transportnummer | UN1230 - class 3 - PG 2 - Methanol, solution |
| Zollcode | 29181990 |
| RTECS-Nr. | FZ2000000 |
| R-Sätze (R) | 36/37/38 |
| Toxizität | LD50 in mice (g/kg): 0.1 i.v. (Ardenne, Reitnauer)in rats, mice (mg/kg): 2000, 6000 s.c.1000, 1200 i.p., 310, 260 i.v. (Ward) |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 24/25-36-26 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2 |
Anwendungen & Verwendung
Verwenden
Ursodeoxycholic acid (UDCS) is a cell protectant used extensively to mitigate hepatic and biliary diseases. Ursodeoxycholic acid may be used to study its specific activities that range from reduction of cholesterol absorpition, cholesterol gallstone dissolution to suppression of immune response. It is also used as an anticholelithogenic. Epimer with Chenodiol with respect to the hydroxyl group at C7.