360-65-6

Name GLYCODEOXYCHOLIC ACID
CAS 360-65-6
Molecular Formula C26H43NO5
MDL Number MFCD00067133
Molecular Weight 449.63
MOL File 360-65-6.mol
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Chemical Properties

Melting point  184 °C
Boiling point  655.6±50.0 °C(Predicted)
density  1.162±0.06 g/cm3(Predicted)
storage temp.  Sealed in dry,2-8°C
solubility  Acetonitrile (Slightly), Ethanol (Slightly), Methanol (Slightly)
form  Solid
pka pKa 3.87±0.06(H2O,t = 25.0±0.1,I=0.00) (Uncertain)
color  White to Off-White
InChIKey WVULKSPCQVQLCU-XHOVQGJQNA-N
SMILES C[C@]12[C@H](C[C@]3([H])[C@]4(CC[C@@H](O)C[C@@]4([H])CC[C@@]3([H])[C@]1([H])CC[C@]2([H])[C@H](C)CCC(=O)NCC(=O)O)C)O |&1:1,2,4,6,9,12,16,18,22,24,r|

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P261-P305+P351+P338
Hazard Codes  Xi
Risk Statements 
Safety Statements 
WGK Germany  3
RTECS  MB9670000
F  10
Toxicity
mouse,LD50,intravenous,140mg/kg (140mg/kg),Arzneimittel-Forschung. Drug Research. Vol. 20, Pg. 323, 1970.

Hazard Information

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