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    Pleuromulin

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    $ API Ref.Price (USD/KG) : 232Xls

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    2D Structure
    Also known as: Pleuromutilin, Pleuromulin, 125-65-5, Drosophilin b, Hy-n2301, Mfcd28154633
    Molecular Formula
    C22H34O5
    Molecular Weight
    378.5  g/mol
    InChI Key
    ZRZNJUXESFHSIO-JKZASVEESA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(2R,3S,4S,6R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-hydroxyacetate
    2.1.2 InChI
    InChI=1S/C22H34O5/c1-6-20(4)11-16(27-17(25)12-23)21(5)13(2)7-9-22(14(3)19(20)26)10-8-15(24)18(21)22/h6,13-14,16,18-19,23,26H,1,7-12H2,2-5H3/t13-,14+,16-,18+,19+,20-,21?,22?/m1/s1
    2.1.3 InChI Key
    ZRZNJUXESFHSIO-JKZASVEESA-N
    2.1.4 Canonical SMILES
    CC1CCC23CCC(=O)C2C1(C(CC(C(C3C)O)(C)C=C)OC(=O)CO)C
    2.1.5 Isomeric SMILES
    C[C@@H]1CCC23CCC(=O)[C@H]2C1([C@@H](C[C@@]([C@H]([C@@H]3C)O)(C)C=C)OC(=O)CO)C
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Drosophilin B

    2. Octahydro-5,8-dihydroxy-4,6,9,10- Tetramethyl-6-vinyl-3a,9-propano-3ah-cyclopenta- Cycloocten-1(4h)-one 8-glycolate

    3. Pleuromutilin

    2.2.2 Depositor-Supplied Synonyms

    1. Pleuromutilin

    2. Pleuromulin

    3. 125-65-5

    4. Drosophilin B

    5. Hy-n2301

    6. Mfcd28154633

    7. S4436

    8. Akos030241403

    9. Cs-5813

    10. D70392

    11. (3as,4r,5s,6s,8r,9r,9ar,12r)-5-hydroxy-4,6,9,12-tetramethyl-1-oxo-6-vinyldecahydro-3a,9-propanocyclopenta[8]annulen-8-yl2-hydroxyacetate

    12. [(2r,3s,4s,6r,8r,14r)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-hydroxyacetate

    2.3 Create Date
    2010-07-26
    3 Chemical and Physical Properties
    Molecular Weight 378.5 g/mol
    Molecular Formula C22H34O5
    XLogP33.5
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count4
    Exact Mass378.24062418 g/mol
    Monoisotopic Mass378.24062418 g/mol
    Topological Polar Surface Area83.8 Ų
    Heavy Atom Count27
    Formal Charge0
    Complexity645
    Isotope Atom Count0
    Defined Atom Stereocenter Count6
    Undefined Atom Stereocenter Count2
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Anti-Bacterial Agents

    Substances that inhibit the growth or reproduction of BACTERIA. (See all compounds classified as Anti-Bacterial Agents.)