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

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    Sodium Taurodihydrofusidate

    ACTIVE PHARMA INGREDIENTS

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    2D Structure
    Also known as: 42907-92-6, Sodium taurodihydrofusidate, Dtxsid801033903, Ethanesulfonic acid, 2-(((3alpha,4alpha,8alpha,9beta,11alpha,13alpha,14beta,16alpha,17z)-16-(acetyloxy)-3,11-dihydroxy-21-oxo-29-nordammar-17(20)-en-21-yl)amino)-, monosodium salt
    Molecular Formula
    C33H54NNaO7S
    Molecular Weight
    631.8  g/mol
    InChI Key
    IWQPOPSAISBUAH-VOVMJQHHSA-M
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    sodium;2-[[(2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-acetyl-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methylheptanoyl]amino]ethanesulfonate
    2.1.2 InChI
    InChI=1S/C33H55NO7S.Na/c1-19(2)9-8-10-22(30(38)34-15-16-42(39,40)41)28-23(21(4)35)18-33(7)25(28)17-27(37)29-31(5)13-12-26(36)20(3)24(31)11-14-32(29,33)6;/h19-20,23-27,29,36-37H,8-18H2,1-7H3,(H,34,38)(H,39,40,41);/q;+1/p-1/b28-22+;/t20-,23+,24-,25-,26+,27+,29-,31-,32-,33-;/m0./s1
    2.1.3 InChI Key
    IWQPOPSAISBUAH-VOVMJQHHSA-M
    2.1.4 Canonical SMILES
    CC1C2CCC3(C(C2(CCC1O)C)C(CC4C3(CC(C4=C(CCCC(C)C)C(=O)NCCS(=O)(=O)[O-])C(=O)C)C)O)C.[Na+]
    2.1.5 Isomeric SMILES
    C[C@H]1[C@@H]2CC[C@]3([C@H]([C@]2(CC[C@H]1O)C)[C@@H](C[C@@H]\4[C@@]3(C[C@@H](/C4=C(/CCCC(C)C)\C(=O)NCCS(=O)(=O)[O-])C(=O)C)C)O)C.[Na+]
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 42907-92-6

    2. Sodium Taurodihydrofusidate

    3. Dtxsid801033903

    4. Ethanesulfonic Acid, 2-(((3alpha,4alpha,8alpha,9beta,11alpha,13alpha,14beta,16alpha,17z)-16-(acetyloxy)-3,11-dihydroxy-21-oxo-29-nordammar-17(20)-en-21-yl)amino)-, Monosodium Salt

    2.3 Create Date
    2009-08-20
    3 Chemical and Physical Properties
    Molecular Weight 631.8 g/mol
    Molecular Formula C33H54NNaO7S
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count9
    Exact Mass631.35186852 g/mol
    Monoisotopic Mass631.35186852 g/mol
    Topological Polar Surface Area152 Ų
    Heavy Atom Count43
    Formal Charge0
    Complexity1200
    Isotope Atom Count0
    Defined Atom Stereocenter Count10
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2