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    Technical details about Doxycycline Polymethaphosphate Sodium Complex, learn more about the structure, uses, toxicity, action, side effects and more

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    Doxycycline Polymethaphosphate Sodium Complex

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    2D Structure
    1. Also known as: Unii-zcl646g7kj, Metaphosphoric acid (h6p6o18), disodium salt, compd, with (4s-(4alpha,4aalpha,5alpha,5aalpha,6alpha,12aalpha))-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-11-dioxo-2-naphthacenecarboxamide (1:4), Metaphosphoric acid (h6o18p6), disodium salt, compd. with (4s-(4alpha,4aalpha,5alpha,5aalpha,6alpha,12aalpha))-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide (4:1)
    Molecular Formula
    C88H102N8Na2O50P6+2
    Molecular Weight
    2303.6  g/mol
    InChI Key
    FXCIWDZMMBMRMO-GDGAFVHRSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    disodium;(4S,4aR,5S,5aR,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;2,4,6,8,10,12-hexahydroxy-1,3,5,7,9,11-hexaoxa-25,45,65,85,105,125-hexaphosphacyclododecane 2,4,6,8,10,12-hexaoxide
    2.1.2 InChI
    InChI=1S/4C22H24N2O8.2Na.H6O18P6/c4*1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29;;;1-19(2)13-20(3,4)15-22(7,8)17-24(11,12)18-23(9,10)16-21(5,6)14-19/h4*4-7,10,14-15,17,25-27,30,32H,1-3H3,(H2,23,31);;;(H,1,2)(H,3,4)(H,5,6)(H,7,8)(H,9,10)(H,11,12)/q;;;;2*+1;/t4*7-,10+,14+,15-,17-,22-;;;/m0000.../s1
    2.1.3 InChI Key
    FXCIWDZMMBMRMO-GDGAFVHRSA-N
    2.1.4 Canonical SMILES
    CC1C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.CC1C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.CC1C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.CC1C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.OP1(=O)OP(=O)(OP(=O)(OP(=O)(OP(=O)(OP(=O)(O1)O)O)O)O)O.[Na+].[Na+]
    2.1.5 Isomeric SMILES
    C[C@@H]1[C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.C[C@@H]1[C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.C[C@@H]1[C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.C[C@@H]1[C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.OP1(=O)OP(=O)(OP(=O)(OP(=O)(OP(=O)(OP(=O)(O1)O)O)O)O)O.[Na+].[Na+]
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Dmsc

    2. Doxycycline Fosfatex

    3. Doxycycline Polymethaphosphate Sodium Complex, Disodium (1:4) Complex

    4. Doxycycline Polymethaphosphate Sodium Complex, Disodium (1:5) Complex

    5. Doxycycline Polymethaphosphate Sodium Complex, Monopotassium (1:5) Complex

    6. Doxycycline Polymethaphosphate Sodium Complex, Monosodium (1:5) Complex

    7. Doxycycline Sodium Polyphosphate

    2.2.2 Depositor-Supplied Synonyms

    1. Unii-zcl646g7kj

    2. Metaphosphoric Acid (h6p6o18), Disodium Salt, Compd, With (4s-(4alpha,4aalpha,5alpha,5aalpha,6alpha,12aalpha))-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-11-dioxo-2-naphthacenecarboxamide (1:4)

    3. Metaphosphoric Acid (h6o18p6), Disodium Salt, Compd. With (4s-(4alpha,4aalpha,5alpha,5aalpha,6alpha,12aalpha))-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide (4:1)

    2.3 Create Date
    2011-12-26
    3 Chemical and Physical Properties
    Molecular Weight 2303.6 g/mol
    Molecular Formula C88H102N8Na2O50P6+2
    Hydrogen Bond Donor Count30
    Hydrogen Bond Acceptor Count54
    Rotatable Bond Count8
    Exact Mass2302.3905868 g/mol
    Monoisotopic Mass2302.3905868 g/mol
    Topological Polar Surface Area1010 Ų
    Heavy Atom Count154
    Formal Charge2
    Complexity1520
    Isotope Atom Count0
    Defined Atom Stereocenter Count24
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count7
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