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

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    Semduramicin Sodium

    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:
    Molecular Formula
    C45H76NaO16+
    Molecular Weight
    896.1  g/mol
    InChI Key
    JXRFTGPGWGUBQB-LHOUOPCDSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    sodium;2-[(2R,3S,4S,5R,6S)-2,4-dihydroxy-6-[(1R)-1-[(2S,5R,7S,8R,9S)-7-hydroxy-2-[(2R,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5R,6S)-6-hydroxy-3,5,6-trimethyloxan-2-yl]-3-[(2S,5S,6R)-5-methoxy-6-methyloxan-2-yl]oxyoxolan-2-yl]-5-methyloxolan-2-yl]-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]ethyl]-5-methoxy-3-methyloxan-2-yl]acetic acid
    2.1.2 InChI
    InChI=1S/C45H76O16.Na/c1-22-18-23(2)43(9,50)58-36(22)30-19-31(55-34-13-12-29(52-10)27(6)54-34)40(56-30)42(8)15-14-32(57-42)41(7)16-17-44(61-41)20-28(46)24(3)37(59-44)25(4)38-39(53-11)35(49)26(5)45(51,60-38)21-33(47)48;/h22-32,34-40,46,49-51H,12-21H2,1-11H3,(H,47,48);/q;+1/t22-,23+,24+,25+,26-,27+,28-,29-,30+,31-,32+,34-,35-,36-,37-,38-,39+,40+,41-,42-,43-,44+,45+;/m0./s1
    2.1.3 InChI Key
    JXRFTGPGWGUBQB-LHOUOPCDSA-N
    2.1.4 Canonical SMILES
    CC1CC(C(OC1C2CC(C(O2)C3(CCC(O3)C4(CCC5(O4)CC(C(C(O5)C(C)C6C(C(C(C(O6)(CC(=O)O)O)C)O)OC)C)O)C)C)OC7CCC(C(O7)C)OC)(C)O)C.[Na+]
    2.1.5 Isomeric SMILES
    C[C@H]1C[C@H]([C@@](O[C@@H]1[C@H]2C[C@@H]([C@@H](O2)[C@@]3(CC[C@@H](O3)[C@@]4(CC[C@@]5(O4)C[C@@H]([C@H]([C@H](O5)[C@@H](C)[C@H]6[C@@H]([C@H]([C@@H]([C@](O6)(CC(=O)O)O)C)O)OC)C)O)C)C)O[C@H]7CC[C@@H]([C@H](O7)C)OC)(C)O)C.[Na+]
    2.2 Create Date
    2005-08-09
    3 Chemical and Physical Properties
    Molecular Weight 896.1 g/mol
    Molecular Formula C45H76NaO16+
    Hydrogen Bond Donor Count5
    Hydrogen Bond Acceptor Count16
    Rotatable Bond Count11
    Exact Mass895.50310561 g/mol
    Monoisotopic Mass895.50310561 g/mol
    Topological Polar Surface Area211 Ų
    Heavy Atom Count62
    Formal Charge1
    Complexity1540
    Isotope Atom Count0
    Defined Atom Stereocenter Count23
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
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