Mitoquinol mesylate - ≥98% , CAS No.845959-55-9

CAS: 845959-55-9 Cat. No.: M1247979 PubChem CID: 11672005

GRADE & PURITY ≥98%

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Specifications & Purity

≥98%

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC1=C(C(=C(C(=C1O)OC)OC)O)CCCCCCCCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CS(=O)(=O)[O-]
• IUPAC Name: 10-(2,5-dihydroxy-3,4-dimethoxy-6-methylphenyl)decyl-triphenylphosphanium;methanesulfonate
• InChIKey: WPMXVYGZUOSRAN-UHFFFAOYSA-N
• INCHI: 1S/C37H45O4P.CH4O3S/c1-29-33(35(39)37(41-3)36(40-2)34(29)38)27-19-8-6-4-5-7-9-20-28-42(30-21-13-10-14-22-30,31-23-15-11-16-24-31)32-25-17-12-18-26-32;1-5(2,3)4/h10-18,21-26H,4-9,19-20,27-28H2,1-3H3,(H-,38,39);1H3,(H,2,3,4)
• Isomeric SMILES: CC1=C(C(=C(C(=C1O)OC)OC)O)CCCCCCCCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CS(=O)(=O)[O-]
• Alternate CAS: 845959-55-9
• PubChem CID: 11672005

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Prenol lipids
      • Subclass Quinone and hydroquinone lipids
        • Level5 Prenylated hydroquinones
          • Level6 Ubiquinols

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Quinone and hydroquinone lipids
• Intermediate Tree Nodes: Prenylated hydroquinones
• Direct Parent: Ubiquinols
• Alternative Parents: Methoxyphenols Dimethoxybenzenes Phenoxy compounds Ortho cresols Anisoles Meta cresols Hydroquinones Toluenes Phenylphosphines and derivatives Alkyl aryl ethers Sulfonyls Organosulfonic acids Alkanesulfonic acids Hydrocarbon derivatives Organic oxides Organic zwitterions Organophosphorus compounds
• Molecular Framework: Not available
• Substituents: Triphenylphosphine - Ubiquinol skeleton - Methoxyphenol - Dimethoxybenzene - O-dimethoxybenzene - Phenoxy compound - Phenol ether - O-cresol - Anisole - M-cresol - Hydroquinone - Methoxybenzene - Phenylphosphine - Phenol - Alkyl aryl ether - Toluene - Benzenoid - Monocyclic benzene moiety - Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Ether - Organooxygen compound - Organic oxide - Organic oxygen compound - Organic zwitterion - Organophosphorus compound - Organosulfur compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as ubiquinols. These are coenzyme Q derivatives containing a 5, 6-dimethoxy-3-methylbenzene-1,4-diol moiety to which an isoprenyl group is attached at ring position 2(or 6).
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 680.800 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 16
• Exact Mass: 680.294 Da
• Monoisotopic Mass: 680.294 Da
• Topological Polar Surface Area: 125.000 Ų
• Heavy Atom Count: 47
• Formal Charge: 0
• Complexity: 748.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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