Mitoquinone - ≥98% , CAS No.444890-41-9

CAS: 444890-41-9 Cat. No.: M725914 PubChem CID: 11388332

GRADE & PURITY ≥98%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC1=C(C(=O)C(=C(C1=O)OC)OC)CCCCCCCCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
• IUPAC Name: 10-(4,5-dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)decyl-triphenylphosphanium
• InChIKey: OIIMUKXVVLRCAF-UHFFFAOYSA-N
• INCHI: 1S/C37H44O4P/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/h10-18,21-26H,4-9,19-20,27-28H2,1-3H3/q+1
• Isómeros SMILES: CC1=C(C(=O)C(=C(C1=O)OC)OC)CCCCCCCCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
• CAS alternativo: 444890-41-9
• PubChem CID: 11388332
• Términos de entrada MeSH: (10-(2,5-dihydroxy-3,4-dimethoxy-6-methylphenyl)decyl)triphenyl phosphonium;10-(6'-ubiquinonyl)decyltriphenylphosphonium bromide;Mito-Q;MitoQ;mitoquinone;mitoquinone bromide;mitoquinone cation;mitoquinone ion;mitoquinone mesylate;mitoquinone methanesulfon

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Prenol lipids
      • Subclass Quinone and hydroquinone lipids
        • Level5 Prenylquinones
          • Level6 Ubiquinones

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Prenol lipids
• Subclass: Quinone and hydroquinone lipids
• Intermediate Tree Nodes: Prenylquinones
• Direct Parent: Ubiquinones
• Alternative Parents: P-benzoquinones Phenylphosphines and derivatives Vinylogous esters Organopnictogen compounds Organophosphorus compounds Organic oxides Hydrocarbon derivatives Aldehydes Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Triphenylphosphine - Ubiquinone skeleton - P-benzoquinone - Quinone - Phenylphosphine - Monocyclic benzene moiety - Benzenoid - Vinylogous ester - Ketone - Cyclic ketone - Aldehyde - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organophosphorus compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic cation - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as ubiquinones. These are coenzyme Q derivatives containing a 5, 6-dimethoxy-3-methyl(1,4-benzoquinone) 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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 583.700 g/mol
• XLogP3: 9.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 16
• Exact Mass: 583.298 Da
• Monoisotopic Mass: 583.298 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 42
• Formal Charge: 1
• Complexity: 886.000
• 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: 1