1201918-15-1

Name Glycocholic acid-2,2,4,4-d4
CAS 1201918-15-1
Molecular Formula C26H39D4NO6
Molecular Weight 469.647
MOL File 1201918-15-1.mol
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Chemical Properties

Melting point  165-168°C (lit.)
Boiling point  692.042±55.00 °C(Press: 760.00 Torr)(predicted)
density  1.213±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
Stability: Hygroscopic
InChIKey RFDAIACWWDREDC-WZQUIQSLSA-N
SMILES [H][C@@]12[C@]([C@](CC([2H])([2H])[C@@H](O)C3([2H])[2H])(C)[C@]3([H])C[C@H]2O)([H])C[C@H](O)[C@@]4(C)[C@@]1([H])CC[C@]4([H])[C@]([H])(C)CCC(NCC(O)=O)=O
CAS Number Unlabeled 475-31-0

Safety Data

Symbol(GHS)  Environment (GHS09)
GHS09
WGK Germany  WGK 3
Storage Class 11 - Combustible Solids
Hazard Classifications Aquatic Chronic 2

Hazard Information

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