Related Searches: Idebenone

Idebenone(CAS No. 58186-27-9)

Idebenone C19H30O5 (cas 58186-27-9) Molecular Structure

58186-27-9 Structure

Identification and Related Records

【Name】
Idebenone
【Iupac name】
2-(10-hydroxydecyl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
【CAS Registry number】
58186-27-9
【Synonyms】
2,5-Cyclohexadiene-1,4-dione,2-(10-hydroxydecyl)- 5,6-dimethoxy-3-methyl-
Idebenone (JAN)
2,5-Cyclohexadiene-1,4-dione, 5,6-dimethoxy-2-(10-hydroxydecyl)-3-methyl-
6-(10-Hydroxydecyl)-2,3-dimethoxy-5-methyl-1,4-benzoquinone
CV 2619
Idebenone [GMP]
2-(10-Hydroxydecyl)-5,6-dimethoxy-3-methyl-p-benzoquinone
Idebenonum [Latin]
Idebenone [INN:JAN]
Idebenona [GMP]
Idebenona [Spanish]
2-(10-hydroxydecyl)-5,6-dimethoxy-3-methyl-cyclohexa-2,5-diene-1,4-dione
Idenbenone
【Molecular Formula】
C19H30O5 (Products with the same molecular formula)
【Molecular Weight】
338.44
【Inchi】
InChI=1/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
【Canonical SMILES】
CC1=C(C(=O)C(=C(C1=O)OC)OC)CCCCCCCCCCO
【MOL File】
58186-27-9.mol

Chemical and Physical Properties

【Appearance】
Yellow-orange crystalline powder
【Density】
1.08 g/cm3
【Melting Point】
52-550oC
【Boiling Point】
497.3 oC at 760 mmHg
【Refractive Index】
1.502
【Flash Point】
170.1 oC
【Solubilities】
Insoluble
【Stability】
Stable at normal temperatures and pressures.
【Storage temp】
Room temp
【Computed Properties】
Molecular Weight:338.4385 [g/mol]
Molecular Formula:C19H30O5
XLogP3-AA:4.3
H-Bond Donor:1
H-Bond Acceptor:5
Rotatable Bond Count:12
Tautomer Count:69
Exact Mass:338.209324
MonoIsotopic Mass:338.209324
Topological Polar Surface Area:72.8
Heavy Atom Count:24
Formal Charge:0
Complexity:502
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:5
Feature 3D Donor Count:1
Feature 3D Ring Count:1
Effective Rotor Count:12
Conformer Sampling RMSD:1
CID Conformer Count:317

Safety and Handling

【Hazard Codes】
Xi: Irritant;
【Risk Statements】
Xi
【Safety】

Although studies in animals have shown no harmful effects, this product should not be taken during the first three months of pregnancy and during nursing, only when absolutely necessary and always under a doctor's supervision.
Hazard Codes:?IrritantXi
RTECS: GU5290000

【Specification】

?Idebenone?(CAS NO.58186-27-9) is also called as?Idebenone [INN:JAN]?; 6-(10-Hydroxydecyl)-2,3-dimethoxy-5-methyl-1,4-benzoquinone ;?Idebenona ; Idebenona [Spanish] ; Idebenone ; Idebenonum ; Idebenonum [Latin] ;?2,5-Cyclohexadiene-1,4-dione, 2-(10-hydroxydecyl)-5,6-dimethoxy-3-methyl- ; 2,5-Cyclohexadiene-1,4-dione, 5,6-dimethoxy-2-(10-hydroxydecyl)-3-methyl- ; 2-(10-Hydroxydecyl)-5,6-dimethoxy-3-methyl-p-benzoquinone .It is an organic compound of the quinone family and promoted commercially as a synthetic analog of coenzyme Q10 (CoQ10).

Use and Manufacturing

【Usage】

Ubiquinone derivative with protective effects against cerebral ischemia. Nootropic

Biomedical Effects and Toxicity

【Biological Activity】
Antioxidant and neuroprotective agent. Protects mitochondrial membranes against lipid peroxidation and blocks glutamate neurotoxicity in vitro and in vivo . Inhibits apoptosis of astrocytes via increased NGF production.
【Pharmacological Action】
- Naturally occurring or synthetic substances that inhibit or retard the oxidation of a substance to which it is added. They counteract the harmful and damaging effects of oxidation in animal tissues.
【Therapeutic Uses】
Ubiquinone derivative with protective effects against cerebral ischemia. Nootropic
【Biomedical Effects and Toxicity】
Antioxidant and neuroprotective agent. Protects mitochondrial membranes against lipid peroxidation and blocks glutamate neurotoxicity in vitro and in vivo . Inhibits apoptosis of astrocytes via increased NGF production.

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