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

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    Calcium Sennoside

    APIs // Active Pharmaceutical Ingredients

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    DOSSIERs // Finished Dosage Forms

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    2D Structure
    1. Also known as:
    Molecular Formula
    C42H36CaO18
    Molecular Weight
    868.8  g/mol
    InChI Key
    WWBLQFQARJRROH-WTWBKABESA-L
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    calcium;(9R)-9-[(9R)-2-carboxylato-4-hydroxy-10-oxo-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9H-anthracene-2-carboxylate
    2.1.2 InChI
    InChI=1S/C42H38O18.Ca/c43-11-23-31(47)35(51)37(53)39(59-23)17-5-1-3-15-25(19-7-13(41(55)56)9-21(45)29(19)33(49)27(15)17)26-16-4-2-6-18(40-38(54)36(52)32(48)24(12-44)60-40)28(16)34(50)30-20(26)8-14(42(57)58)10-22(30)46;/h1-10,23-26,31-32,35-40,43-48,51-54H,11-12H2,(H,55,56)(H,57,58);/q;+2/p-2/t23-,24-,25-,26-,31-,32-,35+,36+,37-,38-,39+,40+;/m1./s1
    2.1.3 InChI Key
    WWBLQFQARJRROH-WTWBKABESA-L
    2.1.4 Canonical SMILES
    C1=CC2=C(C(=C1)C3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C2C5C6=C(C(=CC=C6)C7C(C(C(C(O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)[O-])C=C(C=C4O)C(=O)[O-].[Ca+2]
    2.1.5 Isomeric SMILES
    C1=CC2=C(C(=C1)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C4=C([C@@H]2[C@@H]5C6=C(C(=CC=C6)[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)[O-])C=C(C=C4O)C(=O)[O-].[Ca+2]
    2.2 Create Date
    2013-05-09
    3 Chemical and Physical Properties
    Molecular Weight 868.8 g/mol
    Molecular Formula C42H36CaO18
    Hydrogen Bond Donor Count10
    Hydrogen Bond Acceptor Count18
    Rotatable Bond Count4
    Exact Mass868.1527551 g/mol
    Monoisotopic Mass868.1527551 g/mol
    Topological Polar Surface Area335 Ų
    Heavy Atom Count61
    Formal Charge0
    Complexity1520
    Isotope Atom Count0
    Defined Atom Stereocenter Count12
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
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