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

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    Prodoxorubicin

    PharmaCompass

    Symbiotec: Global API manufacturer, specializing in Cortico-Steroids & Steroid-Hormone APIs.

    Metrochem has been delivering customized volume & quality products to customers across the world, taking utmost care of their needs.

    2D Structure
    1. Also known as:
    Molecular Formula
    C34H33N2O14+
    Molecular Weight
    693.6  g/mol
    InChI Key
    CRAAMLLQOLTQQH-FZPBYKCVSA-O
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [2-[(2S,4S)-4-[(2R,4S,5S,6S)-4-[[4-(dihydroxyamino)benzoyl]amino]-5-hydroxy-6-methyloxan-2-yl]oxy-2-hydroxy-7-methoxy-5,6,11,12-tetraoxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl]oxidanium
    2.1.2 InChI
    InChI=1S/C34H32N2O14/c1-14-28(39)19(35-33(44)15-6-8-16(9-7-15)36(46)47)10-23(49-14)50-21-12-34(45,22(38)13-37)11-18-25(21)32(43)27-26(30(18)41)29(40)17-4-3-5-20(48-2)24(17)31(27)42/h3-9,14,19,21,23,28,37,39,45-47H,10-13H2,1-2H3,(H,35,44)/p+1/t14-,19-,21-,23-,28+,34-/m0/s1
    2.1.3 InChI Key
    CRAAMLLQOLTQQH-FZPBYKCVSA-O
    2.1.4 Canonical SMILES
    CC1C(C(CC(O1)OC2CC(CC3=C2C(=O)C4=C(C3=O)C(=O)C5=C(C4=O)C(=CC=C5)OC)(C(=O)C[OH2+])O)NC(=O)C6=CC=C(C=C6)N(O)O)O
    2.1.5 Isomeric SMILES
    C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=O)C4=C(C3=O)C(=O)C5=C(C4=O)C(=CC=C5)OC)(C(=O)C[OH2+])O)NC(=O)C6=CC=C(C=C6)N(O)O)O
    2.2 Create Date
    2015-12-17
    3 Chemical and Physical Properties
    Molecular Weight 693.6 g/mol
    Molecular Formula C34H33N2O14+
    XLogP30.4
    Hydrogen Bond Donor Count6
    Hydrogen Bond Acceptor Count14
    Rotatable Bond Count8
    Exact Mass693.19317873 g/mol
    Monoisotopic Mass693.19317873 g/mol
    Topological Polar Surface Area227 Ų
    Heavy Atom Count50
    Formal Charge1
    Complexity1530
    Isotope Atom Count0
    Defined Atom Stereocenter Count6
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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