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    Technical details about Fumagillin Dicyclohexylamine Salt, learn more about the structure, uses, toxicity, action, side effects and more

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    Fumagillin Dicyclohexylamine Salt

    PRICE INFORMATION

    DOSSIERs // Finished Dosage Forms

    PharmaCompass

    Farmhispania Group, a leading European CDMO in HPAPI Technologies & High Potency Fermentation.

    One Pharma aims to be one of the leading generic companies in Europe.

    2D Structure
    1. Also known as: Mls002702991, Nsc58368, Fumagillin, compd. with dicyclohexylamine (1:1), Fugillin dicyclohexylamine salt, Chembl2006353, Nsc-58368
    Molecular Formula
    C38H57NO7
    Molecular Weight
    639.9  g/mol
    InChI Key
    OLRILZDTQKZQIG-GRJGWNIVSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-cyclohexylcyclohexanamine;(2E,4E,6E,8E)-10-[[5-methoxy-4-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl]oxy]-10-oxodeca-2,4,6,8-tetraenoic acid
    2.1.2 InChI
    InChI=1S/C26H34O7.C12H23N/c1-18(2)13-14-20-25(3,33-20)24-23(30-4)19(15-16-26(24)17-31-26)32-22(29)12-10-8-6-5-7-9-11-21(27)28;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h5-13,19-20,23-24H,14-17H2,1-4H3,(H,27,28);11-13H,1-10H2/b7-5+,8-6+,11-9+,12-10+;
    2.1.3 InChI Key
    OLRILZDTQKZQIG-GRJGWNIVSA-N
    2.1.4 Canonical SMILES
    CC(=CCC1C(O1)(C)C2C(C(CCC23CO3)OC(=O)C=CC=CC=CC=CC(=O)O)OC)C.C1CCC(CC1)NC2CCCCC2
    2.1.5 Isomeric SMILES
    CC(=CCC1C(O1)(C)C2C(C(CCC23CO3)OC(=O)/C=C/C=C/C=C/C=C/C(=O)O)OC)C.C1CCC(CC1)NC2CCCCC2
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Mls002702991

    2. Nsc58368

    3. Fumagillin, Compd. With Dicyclohexylamine (1:1)

    4. Fugillin Dicyclohexylamine Salt

    5. Chembl2006353

    6. Nsc-58368

    7. Akos032948019

    8. Fumagillin, Compd. With Dicyclohexylamine

    9. 2,6,8-decatetraenedioic Acid, 4-(1,2-epoxy-1,5-dimethyl-4-hexenyl)-5-methoxy-1-oxaspiro[2.5]oct-6-yl Ester, Compd. With Dicyclohexylamine (1:1)

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 639.9 g/mol
    Molecular Formula C38H57NO7
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count13
    Exact Mass639.41350316 g/mol
    Monoisotopic Mass639.41350316 g/mol
    Topological Polar Surface Area110 Ų
    Heavy Atom Count46
    Formal Charge0
    Complexity995
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count6
    Defined Bond Stereocenter Count4
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
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