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Idebenone Structure

Idebenone

Chemical Properties

Melting point 52-550C
Boiling point 497.3±45.0 °C(Predicted)
Density  1.08±0.1 g/cm3(Predicted)
storage temp.  room temp
solubility  Soluble in DMSO (up to 25 mg/ml).
form  Solid
pka 15.20±0.10(Predicted)
color  Orange
Merck  14,4888
Stability Stable for 1 year from date of purchase as supplied. Solutions in DMSO may be stored at -20°C for up to 3 months.
InChI InChI=1S/C19H30O5/c1-14-15(12-10-8-6-4-5-7-9-11-13-20)17(22)19(24-3)18(23-2)16(14)21/h20H,4-13H2,1-3H3
InChIKey JGPMMRGNQUBGND-UHFFFAOYSA-N
SMILES C1(=O)C(OC)=C(OC)C(=O)C(C)=C1CCCCCCCCCCO
LogP 3.490 (est)
CAS DataBase Reference 58186-27-9(CAS DataBase Reference)
FDA UNII HB6PN45W4J
ATC code N06BX13

Safety

Symbol(GHS) GHS hazard pictograms
Signal wordWarning
Hazard statements H302-H315-H319-H332-H335
Precautionary statements P261-P280-P305+P351+P338
Hazard Codes  Xi
WGK Germany  3
RTECS  GU5290000
HS Code  2933399990

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