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Tauroursodeoxycholic acid Structure

Tauroursodeoxycholic acid

Chemical Properties

Melting point 173-175°C
Density  1.216±0.06 g/cm3(Predicted)
refractive index  46 ° (C=1, EtOH)
storage temp.  15-25℃
solubility  Soluble in DMSO (up to 30 mg/ml) or in Ethanol (up to 20 mg/ml with warming)
form  solid
pka 1.42±0.50(Predicted)
color  White
Stability 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 DataBase Reference 14605-22-2(CAS DataBase Reference)

Safety Information

Safety Statements  22-24/25
WGK Germany  2
RTECS  KI7372500
HS Code  29242990
Toxicity mouse,LD50,intravenous,350mg/kg (350mg/kg),Japanese Kokai Tokyo Koho Patents. Vol. #92-235918,

Usage And Synthesis

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