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    Monensin Sodium

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

    RELATED EXCIPIENT COMPANIES

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    REF. STANDARDS & IMPURITIES

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    2D Structure
    Also known as: Monensin sodium salt, 22373-78-0, Sodium monensin, Monensin a sodium salt, Dsstox_cid_25573, Dsstox_rid_80970
    Molecular Formula
    C36H61NaO11
    Molecular Weight
    692.9  g/mol
    InChI Key
    XOIQMTLWECTKJL-FBZUZRIGSA-M
    An antiprotozoal agent produced by Streptomyces cinnamonensis. It exerts its effect during the development of first-generation trophozoites into first-generation schizonts within the intestinal epithelial cells. It does not interfere with hosts' development of acquired immunity to the majority of coccidial species. Monensin is a sodium and proton selective ionophore and is widely used as such in biochemical studies.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    sodium;(2S,3R,4S)-4-[(2S,5R,7S,8R,9S)-2-[(2R,5S)-5-ethyl-5-[(2R,3S,5R)-5-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]oxolan-2-yl]-7-hydroxy-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methylpentanoate
    2.1.2 InChI
    InChI=1S/C36H62O11.Na/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40;/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40);/q;+1/p-1/t19-,20-,21+,22+,23-,24-,25-,26+,27+,28-,29+,30-,31+,33-,34-,35+,36-;/m0./s1
    2.1.3 InChI Key
    XOIQMTLWECTKJL-FBZUZRIGSA-M
    2.1.4 Canonical SMILES
    CCC1(CCC(O1)C2(CCC3(O2)CC(C(C(O3)C(C)C(C(C)C(=O)[O-])OC)C)O)C)C4C(CC(O4)C5C(CC(C(O5)(CO)O)C)C)C.[Na+]
    2.1.5 Isomeric SMILES
    CC[C@]1(CC[C@@H](O1)[C@@]2(CC[C@@]3(O2)C[C@@H]([C@H]([C@H](O3)[C@@H](C)[C@H]([C@H](C)C(=O)[O-])OC)C)O)C)[C@H]4[C@H](C[C@@H](O4)[C@@H]5[C@H](C[C@H]([C@@](O5)(CO)O)C)C)C.[Na+]
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Coban

    2. Monensin

    3. Monensin A Sodium Complex

    4. Monensin Monosodium Salt

    5. Monensin-a-sodium Complex

    6. Rumensin

    2.2.2 Depositor-Supplied Synonyms

    1. Monensin Sodium Salt

    2. 22373-78-0

    3. Sodium Monensin

    4. Monensin A Sodium Salt

    5. Dsstox_cid_25573

    6. Dsstox_rid_80970

    7. Dsstox_gsid_45573

    8. Nsc343257

    9. Dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methylpentanoate

    10. C36h61nao11

    11. Nsc-343257

    12. Ncgc00017089-01

    13. Sodium;(2s,3r,4s)-4-[(2s,5r,7s,8r,9s)-2-[(2r,5s)-5-ethyl-5-[(2r,3s,5r)-5-[(2s,3s,5r,6r)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]oxolan-2-yl]-7-hydroxy-2,8-dimethyl-1,10-

    14. Cas-22373-78-0

    15. Mls002153986

    16. Monensin Sodium 100 Microg/ml In Acetonitrile

    17. Schembl4057708

    18. Chembl1908308

    19. Dtxsid2045573

    20. Monensin Sodium Salt, 90% Min.

    21. Hms2097e18

    22. Hms3714e18

    23. Hy-n0150

    24. Tox21_110771

    25. Tox21_113191

    26. Mfcd00077826

    27. S2324

    28. Akos025147337

    29. Am84797

    30. As-0826

    31. Ccg-220748

    32. Smr001233320

    33. Monensin Sodium 100 Microg/ml In Methanol

    34. Cs-0007881

    35. M2573

    36. E78700

    37. 2-[5-ethyltetrahydro-5-[tetrahydro-3-methyl-5-[tetrahydro-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-2h-pyran-2-yl]-2-furyl]-2-furyl]-9-hydroxy-?-methoxy-?,?,2,8-tetramethyl-1,6-dioxaspiro[4.5]decane-7-butyric Acid Sodium Salt

    38. 4-[2-[5-ethyl-5-[5-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]- 3-methyloxolan-2-yl]oxolan-2-yl]- 9-hydroxy-2,8-dimethyl-1,6-dioxaspiro[4.5]dec-7-yl]-3-methoxy-2-methylpentanoic Acid Sodium Salt

    39. Sodium (2s,3r,4s)-4-[(2s,5r,7s,8r,9s)-2-[(2s,2'r,3's,5r,5'r)-2-ethyl-5'-[(2s,3s,5r,6r)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3'-methyl-[2,2'-bioxolan]-5-yl]-9-hydroxy-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-3-methoxy-2-methylpentanoate

    40. Sodium;(2s,3r,4s)-4-[(2s,5r,7s,8r,9s)-2-[(2r,5s)-5-ethyl-5-[(2r,3s,5r)-5-[(2s,3s,5r,6r)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]oxolan-2-yl]-7-hydroxy-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methylpentanoate

    2.3 Create Date
    2008-02-05
    3 Chemical and Physical Properties
    Molecular Weight 692.9 g/mol
    Molecular Formula C36H61NaO11
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count11
    Rotatable Bond Count10
    Exact Mass692.41115704 g/mol
    Monoisotopic Mass692.41115704 g/mol
    Topological Polar Surface Area156 Ų
    Heavy Atom Count48
    Formal Charge0
    Complexity1110
    Isotope Atom Count0
    Defined Atom Stereocenter Count17
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Antifungal Agents

    Substances that destroy fungi by suppressing their ability to grow or reproduce. They differ from FUNGICIDES, INDUSTRIAL because they defend against fungi present in human or animal tissues. (See all compounds classified as Antifungal Agents.)

    Antiprotozoal Agents

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

    Coccidiostats

    Agents useful in the treatment or prevention of COCCIDIOSIS in man or animals. (See all compounds classified as Coccidiostats.)

    Proton Ionophores

    Chemical agents that increase the permeability of CELL MEMBRANES to PROTONS. (See all compounds classified as Proton Ionophores.)

    Sodium Ionophores

    Chemical agents that increase the permeability of CELL MEMBRANES to SODIUM ions. (See all compounds classified as Sodium Ionophores.)