Molecular Identity
Idebenone
2-(10-hydroxydecyl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
PubChem CID: 3686
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.
2D Structure
Properties
C19H30O5
Molecular Formula
338.40
Molecular Weight
g/mol
338.2093
Exact Mass
Da
4.3
XLogP
Drug-like (Lipinski: < 5)
72.8
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
502
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(C(=O)C(=C(C1=O)OC)OC)CCCCCCCCCCOIsomeric SMILES
SMILES: CC1=C(C(=O)C(=C(C1=O)OC)OC)CCCCCCCCCCOSynonyms(20)
idebenone58186-27-9IdebenonaRaxone2-(10-hydroxydecyl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dioneIdebenonumSovrimaCV 2619hydroxydecyl ubiquinoneCV-2619Oristar hdu2-(10-Hydroxydecyl)-5,6-dimethoxy-3-methyl-1,4-benzoquinoneDTXSID00406786-(10-Hydroxydecyl)-2,3-dimethoxy-5-methyl-1,4-benzoquinoneHB6PN45W4J
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Idebenone
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