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    Stibogluconate Sodium

    ACTIVE PHARMA INGREDIENTS

    MARKET PLACE

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    2D Structure
    Also known as: Antimony sodium gluconate, Solusurmin, Stibogluconate sodium, Trisodium;(4r,5s,6r)-2-[[(4r,5s,6r)-4-carboxylato-6-[(1r)-1,2-dihydroxyethyl]-5-hydroxy-2-oxo-1,3,2lambda5-dioxastibinan-2-yl]oxy]-6-[(1r)-1,2-dihydroxyethyl]-5-hydroxy-2-oxo-1,3,2lambda5-dioxastibinane-4-carboxylate;nonahydrate, Solyusurmin, Solustin
    Molecular Formula
    C12H36Na3O26Sb2+
    Molecular Weight
    908.89  g/mol
    InChI Key
    CUEDNFKBTFCOSV-UZVLBLASSA-L
    Antimony complex where the metal may exist in either the pentavalent or trivalent states. The pentavalent gluconate is used in leishmaniasis. The trivalent gluconate is most frequently used in schistosomiasis.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    trisodium;(4R,5S,6R)-2-[[(4R,5S,6R)-4-carboxylato-6-[(1R)-1,2-dihydroxyethyl]-5-hydroxy-2-oxo-1,3,25-dioxastibinan-2-yl]oxy]-6-[(1R)-1,2-dihydroxyethyl]-5-hydroxy-2-oxo-1,3,25-dioxastibinane-4-carboxylate;nonahydrate
    2.1.2 InChI
    InChI=1S/2C6H10O7.3Na.9H2O.3O.2Sb/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;;;;;;;;;;;;;;;;;/h2*2-5,7-8,10H,1H2,(H,12,13);;;;9*1H2;;;;;/q2*-2;3*+1;;;;;;;;;;;;;2*+2/p-2/t2*2-,3-,4+,5-;;;;;;;;;;;;;;;;;/m11................./s1
    2.1.3 InChI Key
    CUEDNFKBTFCOSV-UZVLBLASSA-L
    2.1.4 Canonical SMILES
    C(C(C1C(C(O[Sb](=O)(O1)O[Sb]2(=O)OC(C(C(O2)C(=O)[O-])O)C(CO)O)C(=O)[O-])O)O)O.O.O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+]
    2.1.5 Isomeric SMILES
    C([C@H]([C@@H]1[C@@H]([C@@H](O[Sb](=O)(O1)O[Sb]2(=O)O[C@@H]([C@@H]([C@@H](O2)C(=O)[O-])O)[C@@H](CO)O)C(=O)[O-])O)O)O.O.O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+]
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Antimony Gluconate Sodium

    2. Antimony Gluconic Acid

    3. Antimony Sodium Gluconate

    4. Antimony Sodium Gluconates

    5. Myostibin

    6. Pentostam

    7. Sodium Gluconates, Antimony

    8. Sodium, Stibogluconate

    9. Solustibosan

    10. Stibatin

    11. Stibogluconate Sodium

    12. Stibogluconate, Sodium

    13. Triostam

    2.2.2 Depositor-Supplied Synonyms

    1. Antimony Sodium Gluconate

    2. Solusurmin

    3. Stibogluconate Sodium

    4. Trisodium;(4r,5s,6r)-2-[[(4r,5s,6r)-4-carboxylato-6-[(1r)-1,2-dihydroxyethyl]-5-hydroxy-2-oxo-1,3,2lambda5-dioxastibinan-2-yl]oxy]-6-[(1r)-1,2-dihydroxyethyl]-5-hydroxy-2-oxo-1,3,2lambda5-dioxastibinane-4-carboxylate;nonahydrate

    5. Solyusurmin

    6. Solustin

    7. Stibogluconate Sodique

    8. Estibogluconato Sodico [spanish]

    9. Natrii Stibogluconas [inn-latin]

    10. Estibogluconato Sodico [inn-spanish]

    11. Sodium Stibogluconate [inn:ban:dcf]

    12. Stibogluconate De Sodium [inn-french]

    13. Antimony(v) Derivative Of Sodium Gluconate

    14. Unii-apj6285y89

    15. Trinatrium Bis(gluconato(3)-o2,o3,o4)hydroxooxido-oxy-bis-antimonat(v)

    16. D-gluconic Acid, 2,4:2',4'-o-(oxydistibylidyne)bis-, Sb,sb'-dioxide, Trisodium Salt, Nonahydrate

    2.3 Create Date
    2007-08-23
    3 Chemical and Physical Properties
    Molecular Weight 908.89 g/mol
    Molecular Formula C12H36Na3O26Sb2+
    Hydrogen Bond Donor Count15
    Hydrogen Bond Acceptor Count26
    Rotatable Bond Count6
    Exact Mass908.92682 g/mol
    Monoisotopic Mass906.92641 g/mol
    Topological Polar Surface Area291 Ų
    Heavy Atom Count43
    Formal Charge1
    Complexity699
    Isotope Atom Count0
    Defined Atom Stereocenter Count8
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count13
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Antiprotozoal Agents

    Substances that are destructive to protozoans. (See all compounds classified as Antiprotozoal Agents.)

    Schistosomicides

    Agents that act systemically to kill adult schistosomes. (See all compounds classified as Schistosomicides.)

    4.2 ATC Code

    P - Antiparasitic products, insecticides and repellents

    P01 - Antiprotozoals

    P01C - Agents against leishmaniasis and trypanosomiasis

    P01CB - Antimony compounds

    P01CB02 - Sodium stibogluconate