Glycochenodeoxycholic acid-d4

Chemical Properties

Boiling point	655.572±40.00 °C(Press: 760.00 Torr)(predicted)
Density	1.162±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
storage temp.	Store at -20°C
solubility	DMF: 10 mg/ml,DMSO: 10 mg/ml,DMSO:PBS(pH 7.2) (1:4): 0.2 mg/ml,Ethanol: 1 mg/ml
form	A crystalline solid
pka	3.582±0.10(predicted)
color	White to off-white
InChIKey	XILGPPBPXPUXQG-LXAYGWTLSA-N
SMILES	[H][C@@]12[C@]([C@](CC([C@H]3O)([2H])[2H])(C)[C@@](C[C@H]2O)([H])C3([2H])[2H])([H])CC[C@@]4(C)[C@@]1([H])CC[C@]4([H])[C@]([H])(C)CCC(NCC(O)=O)=O
CAS Number Unlabeled	640-79-9

WGK Germany	WGK 3
Storage Class	10 - Combustible liquids

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