Tauroursodeoxycholic acid
Bezeichnung:Tauroursodeoxycholic acid
CAS-Nr14605-22-2
Englisch Name:Tauroursodeoxycholic acid
CBNumberCB0404332
SummenformelC26H45NO6S
Molgewicht499.7
MOL-Datei14605-22-2.mol
Tauroursodeoxycholic acid physikalisch-chemischer Eigenschaften
Schmelzpunkt | 173-175°C |
Dichte | 1.216±0.06 g/cm3(Predicted) |
Brechungsindex | 46 ° (C=1, EtOH) |
storage temp. | 15-25℃ |
Löslichkeit | Soluble in DMSO (up to 30 mg/ml) or in Ethanol (up to 20 mg/ml with warming) |
Aggregatzustand | solid |
pka | 1.42±0.50(Predicted) |
Farbe | White |
Stabilität | Stable for 1 year from date of purchase as supplied. Solutions in DMSO or ethanol may be stored at -20°C for up to 1 month. |
InChIKey | BHTRKEVKTKCXOH-LBSADWJPSA-N |
SMILES | [C@@]12([H])CC[C@H]([C@H](C)CCC(=O)NCCS(=O)(=O)O)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@@H](O)C[C@@]3([H])C[C@H](O)[C@@]21[H] |&1:0,4,5,18,22,24,28,31,34,36,r| |
CAS Datenbank | 14605-22-2(CAS DataBase Reference) |
S-Sätze: | 22-24/25 |
WGK Germany | 2 |
RTECS-Nr. | KI7372500 |
HS Code | 29242990 |
Toxizität | mouse,LD50,intravenous,350mg/kg (350mg/kg),Japanese Kokai Tokyo Koho Patents. Vol. #92-235918, |