English name: Idebenone

CAS number: 58186-27-9

Molecular formula: C19H30O5

Molecular weight: 338.44

EINECS number: 1308068-626-2

MDL No. : MFCD00274552

Stats

Melting point 52-550C

Boiling point 497.3±45.0 °C(Predicted)

Density 1.08± 0.1g /cm3(Predicted)

Storage condition room temp

The solubility is Soluble in DMSO (up to 25 mg/ml).

Acidity coefficient (pKa)15.20±0.10(Predicted)

Morphological neat

Color Orange

Merck14, 4888

Stable for 1 year from date of purchase as supplied. Solutions in DMSO may be stored at -20°C for up to 3 months.

InChIInChI = 1 s/C19H30O5 / c1-14 to 15 (12-10-8-6-4-5-12-10-8-13-20) 17 (22) 19 (24-3) 18 (23-2), 16 (14) 21 / h20H, 13 h2, 4-1-3 h3

InChIKeyJGPMMRGNQUBGND-UHFFFAOYSA-N

SMILESC1(=O)C(OC)=C(OC)C(=O)C(C)=C1CCCCCCCCCCO

LogP3.490 (est)

Safety information

GHS hazard pictograms GHS Hazard pictograms

GHS07

Warning word

Hazard Description H302-H315-H319-H332-H335

Defense Description P261-P280-P305+P351+P338

WGK Germany3

RTECS number GU5290000

Customs Code: 2933399990