UBIQUINOL

Iupac Name：2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl]-5,6-dimethoxy-3-methylbenzene-1,4-diol

CAS No.: 992-78-9

Molecular Weight：865.4

Modify Date.: 2022-11-29 06:12

Introduction: Reduced coenzyme Q for improving nervous system cell functions UBIQUINOLSupplier View more+

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1. Names and Identifiers

1.1 Name: UBIQUINOL
1.2 Synonyms: 1-((2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl)-5,6-dimethoxy-3-methylbenzene-1,4-diol 1,4-Benzenediol, 2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyl-2,6,10,14,18,22,26,30,34,38-tetracontadecaen-1-yl]-5,6-dimethoxy-3-methyl- 2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-DecaMethyl -2,6,10,14,18 2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-Decamethyl -2,6,10,14,18,22,26,30,34,38-tetracontadecaen-1-yl]-5,6-dimethoxy-3-methyl- 1,4-benzenediol 2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-DecaMethyl -2,6,10,14,18 2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-Decamethyl-2,6,10,14,18,22,26,30,34,38-tetracontadecaen-1-yl]-5,6-dimethoxy-3-methyl-1,4-benzenediol 2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-Decamethyl-2,6,10,14,18,22,26,30,34,38-tetracontadecenyl]-5,6-dimethoxy-3-methylbenzene-1,4-diol 2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-Decamethyl-2,6,10,14,18,22,26,30,34,38-tetracontadecenyl]-5,6-dimethoxy-3-methylhydroquinone coenzyme Q10-H2 Dihydrocoenzyme Q10 Reduced Coenzyme Q10 Reduced Ubiquinone Q10 Reduced ubiquinone-10 UBIQUINOL (Reduced coenzyme Q10) Ubiquinol 50 ubiquinol Q10 ubiquinol-10

1.3 CAS No.: 992-78-9

1.4 CID: 9962735

1.5 Molecular Formula: C59H92O4 (isomer)

1.6 Inchi: InChI=1S/C59H92O4/c1-44(2)24-15-25-45(3)26-16-27-46(4)28-17-29-47(5)30-18-31-48(6)32-19-33-49(7)34-20-35-50(8)36-21-37-51(9)38-22-39-52(10)40-23-41-53(11)42-43-55-54(12)56(60)58(62-13)59(63-14)57(55)61/h24,26,28,30,32,34,36,38,40,42,60-61H,15-23,25,27,29,31,33,35,37,39,41,43H2,1-14H3/b45-26+,46-28+,47-30+,48-32+,49-34+,50-36+,51-38+,52-40+,53-42+

1.7 InChkey: QNTNKSLOFHEFPK-UPTCCGCDSA-N

1.8 Canonical Smiles: CC1=C(C(=C(C(=C1O)OC)OC)O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C

1.9 Isomers Smiles: CC1=C(C(=C(C(=C1O)OC)OC)O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C

2. Properties

2.1 Density: 0.951±0.06 g/cm3(Predicted)

2.1 Melting point: 48-49 °C

2.1 Boiling point: 866.9±65.0 °C(Predicted)

2.1 Refractive index: 1.526

2.1 Flash Point: 478.1±34.3 °C

2.1 Precise Quality: 864.70000

2.1 PSA: 58.92000

2.1 logP: 18.47060

2.1 Appearance: Solid

2.2 Chemical Properties: Light Yellow-Orange Solid

2.3 pKa: 10.53±0.50(Predicted)

2.4 Water Solubility: 0.2451 mg/L @ 25 °C (est)

2.5 StorageTemp: Amber Vial, -20°C Freezer, Under Inert Atmosphere

3. Use and Manufacturing

3.1 Usage: Reduced coenzyme Q for improving nervous system cell functions UBIQUINOLSupplier

4. Safety and Handling

4.1 RIDADR: NONH for all modes of transport

4.1 Specification: Coenzyme Q10-hydroquinone , its cas register number 992-78-9. It also can be called 1,4-Benzenediol,2-(3,7,11,15,19,23,27,31,35,39-decamethyl-2,6,10,14,18,22,26,30,34,38-tetracontadecaenyl)-5,6-dimethoxy-3-methyl-,(all-E)- ; Coenzyme Q10, dihydro- ; 1,4-Benzenediol,2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyl-2,6,10,14,18,22,26,30,34,38-tetracontadecaen-1-yl]-5,6-dimethoxy-3-methyl- ; Ubiquinol 50 ; and Kaneka QH .

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s)	no data available
Signal word	no data available
Hazard statement(s)	no data available
Precautionary statement(s)
Prevention	no data available
Response	no data available
Storage	no data available
Disposal	no data available

2.3 Other hazards which do not result in classification

no data available

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6. Other Information

6.0 体外研究: The lipophilic environment encircles the lipophilic low-molecular-weight antioxidants (α-tocopherol, β-carotene, and Ubiquinol) and prevents them from reacting as skin protectors.
Oxidative stress is defined as a disturbance in the prooxidant-antioxidant balance in favor of the former and has been suggested to be a relevant factor in aging as well as in different pathological conditions, such as heart attack, diabetes, and cancer. Ubiquinol is very sensitive against oxygen radicals and gives ubiquinone as an oxidation product. Therefore, the ratio of ubiquinol to ubiquinone should be a good marker of oxidative stress because of its definition.

6.1 体内研究: The oxidized (UQox) and reduced (Ubiquinol) forms of ubiquinone (UQ) homologues in rat tissues and subcellular fractionsare analyzed. The levels of these homologues are highest in heart with lesser amounts occurring in kidney, liver and other organs. In liver and blood plasma, the UQred homologue amounted to 70-80% of the total UQ (UQox + Ubiquinol = t-UQ). Ubiquinol is less than 30% of t-UQ in other tissues and blood cells. t-UQ is much higher in leukocytes and platelets in blood than in erythrocytes. In erythrocytes, t-UQ is exclusively located in the cell membranes.Ubiquinol is also found in all subcellular fractions isolated from liver and kidney in about the same ratio as Ubiquinol/t-UQ is present in the whole organ. The levels of Ubiquinol per mg protein in subcellular fractions from liver is highest in mitochondria, with lesser amounts present in plasma membranes, lysosomes, Golgi complex, nuclei, microsomes and cytosol. In the mitochondria, the outer membranes are richer in t-UQ than the inner membranes.

6.2 Description: Ubiquinol is a reduced form of coenzyme Q₁₀ (CoQ₁₀; Item No. 11506), which exists in three redox states: fully oxidized (CoQ₁₀/ubiquinone), partially reduced (semiquinone/ubisemiquinone), and fully reduced (ubiquinol). CoQ₁₀ acts as an electron shuttle in the electron transport chain via its reduction to ubiquinol between mitochondrial complexes I and II, also known as NADH dehydrogenase and succinate dehydrogenase, respectively, and mitochondrial complex III, also known as cytochrome bc₁ complex. CoQ₁₀ is also reduced to ubiquinol by ferroptosis suppressor protein 1 (FSP1) with NADPH as a cofactor, and ubiquinol traps lipid peroxyl radicals and inhibits lipid peroxidation helping to prevent ferroptosis.

6.3 Chemical Properties: Light Yellow-Orange Solid

6.4 Uses: Reduced coenzyme Q for improving nervous system cell functions.

6.5 Use Classification: Human drugs -> Rare disease (orphan)

7. Computational chemical data

Molecular Weight: 865.4g/mol
Molecular Formula: C₅₉H₉₂O₄
Compound Is Canonicalized: True
XLogP3-AA: 20.2
Exact Mass: 864.69956141
Monoisotopic Mass: 864.69956141
Complexity: 1600
Rotatable Bond Count: 31
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 4
Topological Polar Surface Area: 58.9
Heavy Atom Count: 63
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 9
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADcfB8OAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADASAmAICBoAABgCAAiBCAAACCAAgIAAAiAAEiIgNJyKGMRqAcCMlwBULuAfA4LwOoQABCAAYQABCAAIQADCAAAAAAAAAAA==

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