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Idebenone

CAT: 0926-FH24537-05Size: 0.5 KgDry Ice: NoHazardous: No
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CAT#:0926-FH24537-05Size:0.5 Kg
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CAS Number
58186-27-9
Synonyms
2- (10-Hydroxydecyl) -5,6-methoxy-3-methyl-2,5-cyclohexadiene-1,4-dione;2,3-Dimethoxy-6- (10-hydroxydecyl) -5-methyl-1,4-benzoquinone;2- (10-Hydroxydecyl) -5,6-dimethoxy-3-methyl-cyclohexa-2,5-diene-1,4-dione
MDL Number
MFCD00274552
Smiles
CC1=C (C (=O) C (=C (C1=O) OC) OC) CCCCCCCCCCO
Molecular Formula
C19H30O5
Molecular Weight
338.44 g/mol
Controlled
No

Chemical Information

Idebenone

Idebenone is a member of the class of 1,4-benzoquinones which is substituted by methoxy groups at positions 2 and 3, by a methyl group at positions 5, and by a 10-hydroxydecyl group at positions 6. Initially developed for the treatment of Alzheimer's disease, benefits were modest; it was subsequently found to be of benefit for the symptomatic treatment of Friedreich's ataxia. It has a role as a ferroptosis inhibitor and an antioxidant. It is a member of 1,4-benzoquinones and a primary alcohol.

CAS Number58186-27-9
PubChem CID3686
IUPAC Name2-(10-hydroxydecyl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
Molecular FormulaC19H30O5
Molecular Weight338.4
XLogP4.3
Topological Polar Surface Area72.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Heavy Atom Count24
Formal Charge0
Complexity502
SMILES
CC1=C(C(=O)C(=C(C1=O)OC)OC)CCCCCCCCCCO
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
Chemical Structure
2D Structure
2D structure of Idebenone
CAS: 58186-27-9
CID: 3686
Formula: C19H30O5
MW: 338.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight338.4
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Exact Mass338.20932405
Monoisotopic Mass338.20932405
Topological Polar Surface Area72.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity502
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
RM-I040500-01Idebenone

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