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    Technical details about Nsc18579, learn more about the structure, uses, toxicity, action, side effects and more

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    Nsc18579

    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: Nsc18579, Nsc58796, Nsc-18579, Nsc-58796, Pregn-4-ene-3, 20-[o-(carboxymethyl)oxime]-, conjugated with human serum albumin
    Molecular Formula
    C23H33NO4
    Molecular Weight
    387.5  g/mol
    InChI Key
    TVMPNJIDKYPVIZ-HZHIDNMYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[(E)-1-[(8R,10S,13R,17R)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethylideneamino]oxyacetic acid
    2.1.2 InChI
    InChI=1S/C23H33NO4/c1-14(24-28-13-21(26)27)18-6-7-19-17-5-4-15-12-16(25)8-10-22(15,2)20(17)9-11-23(18,19)3/h12,17-20H,4-11,13H2,1-3H3,(H,26,27)/b24-14+/t17-,18+,19?,20?,22-,23+/m1/s1
    2.1.3 InChI Key
    TVMPNJIDKYPVIZ-HZHIDNMYSA-N
    2.1.4 Canonical SMILES
    CC(=NOCC(=O)O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C
    2.1.5 Isomeric SMILES
    C/C(=N\OCC(=O)O)/[C@@H]1CCC2[C@]1(CCC3[C@@H]2CCC4=CC(=O)CC[C@@]34C)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Nsc18579

    2. Nsc58796

    3. Nsc-18579

    4. Nsc-58796

    5. Pregn-4-ene-3, 20-[o-(carboxymethyl)oxime]-, Conjugated With Human Serum Albumin

    2.3 Create Date
    2011-12-19
    3 Chemical and Physical Properties
    Molecular Weight 387.5 g/mol
    Molecular Formula C23H33NO4
    XLogP34
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count4
    Exact Mass387.24095853 g/mol
    Monoisotopic Mass387.24095853 g/mol
    Topological Polar Surface Area76 Ų
    Heavy Atom Count28
    Formal Charge0
    Complexity741
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count2
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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