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    Visomitin

    DEVELOPMENTS

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    2D Structure
    Also known as: 934826-68-3, Skq1 bromide, Skq1, Skq-1 bromide, 934826-68-3 (bromide), (10-(4,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)decyl)triphenylphosphonium bromide
    Molecular Formula
    C36H42BrO2P
    Molecular Weight
    617.6  g/mol
    InChI Key
    WYHFWTRUGAFNKW-UHFFFAOYSA-M
    FDA UNII
    7B14500J3E
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    10-(4,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)decyl-triphenylphosphanium;bromide
    2.1.2 InChI
    InChI=1S/C36H42O2P.BrH/c1-29-30(2)36(38)31(28-35(29)37)20-12-7-5-3-4-6-8-19-27-39(32-21-13-9-14-22-32,33-23-15-10-16-24-33)34-25-17-11-18-26-34;/h9-11,13-18,21-26,28H,3-8,12,19-20,27H2,1-2H3;1H/q+1;/p-1
    2.1.3 InChI Key
    WYHFWTRUGAFNKW-UHFFFAOYSA-M
    2.1.4 Canonical SMILES
    CC1=C(C(=O)C(=CC1=O)CCCCCCCCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C.[Br-]
    2.2 Other Identifiers
    2.2.1 UNII
    7B14500J3E
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 934826-68-3

    2. Skq1 Bromide

    3. Skq1

    4. Skq-1 Bromide

    5. 934826-68-3 (bromide)

    6. (10-(4,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)decyl)triphenylphosphonium Bromide

    7. Skq1 (visomitin), Ethanol Solution

    8. 7b14500j3e

    9. 2,3-dimethyl-5-(10-(triphenyl-l-5-phosphanyl)decyl)-1,4-benzoquinone Hydrobromide

    10. Phosphonium, (10-(4,5-dimethyl-3,6-dioxo-1,4-cyclohexadien-1-yl)decyl)triphenyl-, Bromide (1:1)

    11. Skq1(visomitin)

    12. Visomitin (skq1)

    13. Schembl12231062

    14. Unii-7b14500j3e

    15. Bcp15201

    16. Ex-a2505

    17. Mfcd29477502

    18. S9729

    19. Akos037515539

    20. Cs-8068

    21. Ac-36103

    22. Hy-100474

    23. D80700

    24. Plastoquinonyl-decyl-triphenylphosphonium Bromide

    25. A857620

    26. Q27896317

    27. Plastoquinonyl-decyl-triphenylphosphonium Bromide [who-dd]

    28. 10-(4,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)decyl-triphenylphosphanium;bromide

    29. Skq-1;skq 1;visomitin; Pdtp; Plastoquinonyl Decyltriphenyl Phosphonium Bromide

    2.4 Create Date
    2007-08-20
    3 Chemical and Physical Properties
    Molecular Weight 617.6 g/mol
    Molecular Formula C36H42BrO2P
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count14
    Exact Mass616.21058 g/mol
    Monoisotopic Mass616.21058 g/mol
    Topological Polar Surface Area34.1 Ų
    Heavy Atom Count40
    Formal Charge0
    Complexity804
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2