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    Fusafungine

    FINISHED DOSAGE FORMULATIONS

    GLOBAL SALES INFORMATION

    PharmaCompass
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    2D Structure
    Also known as: 1393-87-9, Fusafungin, Fusafungina, Fusafunginum, Enniatin, (3s,9s,15s)-4,10,16-trimethyl-3,6,9,12,15,18-hexa(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
    Molecular Formula
    C33H57N3O9
    Molecular Weight
    639.8  g/mol
    InChI Key
    MIZMDSVSLSIMSC-OGLSAIDSSA-N
    fusafungine is a natural product found in Fusarium tricinctum with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (3S,9S,15S)-4,10,16-trimethyl-3,6,9,12,15,18-hexa(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
    2.1.2 InChI
    InChI=1S/C33H57N3O9/c1-16(2)22-31(40)43-26(20(9)10)29(38)35(14)24(18(5)6)33(42)45-27(21(11)12)30(39)36(15)23(17(3)4)32(41)44-25(19(7)8)28(37)34(22)13/h16-27H,1-15H3/t22-,23-,24-,25?,26?,27?/m0/s1
    2.1.3 InChI Key
    MIZMDSVSLSIMSC-OGLSAIDSSA-N
    2.1.4 Canonical SMILES
    CC(C)C1C(=O)OC(C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)OC(C(=O)N1C)C(C)C)C(C)C)C)C(C)C)C(C)C)C)C(C)C
    2.1.5 Isomeric SMILES
    CC(C)[C@H]1C(=O)OC(C(=O)N([C@H](C(=O)OC(C(=O)N([C@H](C(=O)OC(C(=O)N1C)C(C)C)C(C)C)C)C(C)C)C(C)C)C)C(C)C
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Bioparox Spray

    2. Fusafungin

    3. Locabiotal

    2.2.2 Depositor-Supplied Synonyms

    1. 1393-87-9

    2. Fusafungin

    3. Fusafungina

    4. Fusafunginum

    5. Enniatin

    6. (3s,9s,15s)-4,10,16-trimethyl-3,6,9,12,15,18-hexa(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone

    7. Locabiotal

    8. Biofusal

    9. Bioparox

    10. Fusaloyos

    11. Bioparox Spray

    12. Fusafunginum [inn-latin]

    13. Fusafungina [inn-spanish]

    14. Fusafungine [inn:ban:dcf]

    15. Unii-65dd690w0c

    16. S 314

    17. Einecs 215-737-5

    18. Schembl16242889

    19. Dtxsid50912008

    20. 65dd690w0c

    21. Db08965

    22. Q222424

    23. (3s,9s,15s)-3,6,9,12,15,18-hexaisopropyl-4,10,16-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexaone

    24. 4,10,16-trimethyl-3,6,9,12,15,18-hexa(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone

    25. Antibiotic Obtained From Cultures Of A Fusarium Belonging To Lateritium Wr. Section, Or The Same Substance Produced By Any Other Means

    2.3 Create Date
    2005-08-09
    3 Chemical and Physical Properties
    Molecular Weight 639.8 g/mol
    Molecular Formula C33H57N3O9
    XLogP36.5
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count6
    Exact Mass639.40948040 g/mol
    Monoisotopic Mass639.40948040 g/mol
    Topological Polar Surface Area140 Ų
    Heavy Atom Count45
    Formal Charge0
    Complexity952
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count3
    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.)

    4.2 ATC Code

    R - Respiratory system

    R02 - Throat preparations

    R02A - Throat preparations

    R02AB - Antibiotics

    R02AB03 - Fusafungine