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    Idraparinux sodium

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Idraparinux, 149920-56-9, Sanorg-34006, Sanorg34006, Org-34006, H84ixp29fn
    Molecular Formula
    C38H55Na9O49S7
    Molecular Weight
    1727.2  g/mol
    InChI Key
    MVPQUSQUURLQKF-MCPDASDXSA-E
    FDA UNII
    H84IXP29FN
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    nonasodium;(2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxylato-4,5-dimethoxy-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-disulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-disulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxane-2-carboxylate
    2.1.2 InChI
    InChI=1S/C38H64O49S7.9Na/c1-64-15-12(9-72-88(43,44)45)76-35(27(68-5)18(15)65-2)80-21-19(66-3)28(69-6)37(82-25(21)32(39)40)79-17-14(11-74-90(49,50)51)77-38(31(87-94(61,62)63)24(17)85-92(55,56)57)81-22-20(67-4)29(70-7)36(83-26(22)33(41)42)78-16-13(10-73-89(46,47)48)75-34(71-8)30(86-93(58,59)60)23(16)84-91(52,53)54;;;;;;;;;/h12-31,34-38H,9-11H2,1-8H3,(H,39,40)(H,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63);;;;;;;;;/q;9*+1/p-9/t12-,13-,14-,15-,16-,17-,18+,19+,20+,21+,22+,23+,24+,25+,26-,27-,28-,29-,30-,31-,34+,35-,36-,37-,38-;;;;;;;;;/m1........./s1
    2.1.3 InChI Key
    MVPQUSQUURLQKF-MCPDASDXSA-E
    2.1.4 Canonical SMILES
    COC1C(OC(C(C1OC)OC)OC2C(C(C(OC2C(=O)[O-])OC3C(OC(C(C3OS(=O)(=O)[O-])OS(=O)(=O)[O-])OC4C(C(C(OC4C(=O)[O-])OC5C(OC(C(C5OS(=O)(=O)[O-])OS(=O)(=O)[O-])OC)COS(=O)(=O)[O-])OC)OC)COS(=O)(=O)[O-])OC)OC)COS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
    2.1.5 Isomeric SMILES
    CO[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1OC)OC)O[C@H]2[C@@H]([C@H]([C@@H](O[C@@H]2C(=O)[O-])O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3OS(=O)(=O)[O-])OS(=O)(=O)[O-])O[C@H]4[C@@H]([C@H]([C@@H](O[C@H]4C(=O)[O-])O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5OS(=O)(=O)[O-])OS(=O)(=O)[O-])OC)COS(=O)(=O)[O-])OC)OC)COS(=O)(=O)[O-])OC)OC)COS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
    2.2 Other Identifiers
    2.2.1 UNII
    H84IXP29FN
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Idraparinux

    2. Org 34006

    3. Org-34006

    4. Sanorg 34006

    5. Sanorg-34006

    6. Sr 34006

    7. Sr-34006

    8. Sr34006

    2.3.2 Depositor-Supplied Synonyms

    1. Idraparinux

    2. 149920-56-9

    3. Sanorg-34006

    4. Sanorg34006

    5. Org-34006

    6. H84ixp29fn

    7. Sr34006

    8. Idraparinux Sodium (usan)

    9. Sr-34006

    10. Idraparinux Sodium [usan]

    11. Sanorg 34006

    12. Org 34006

    13. Idraparinux Nonasodium Salt

    14. Idraparinux Sodium [inn]

    15. Unii-h84ixp29fn

    16. Idraparinux Sodium [usan:inn]

    17. Idraparinux Sodium [mart.]

    18. Idraparinux Sodium [who-dd]

    19. Idraparinux Nonasodium Salt [mi]

    20. S-o-34006

    21. D10471

    22. Q3147909

    23. Alpha-d-glucopyranoside, Methyl O-2,3,4-tri-o-methyl-6-o-sulfo-alpha-d-glucopyranosyl-(1-4)-o-2,3-di-o-methyl-beta-d-glucopyranuronosyl-(1-4)-o-2,3,6-tri-o-sulfo-alpha-d-glucopyranosyl-(1-4)-o-2,3-di-o-methyl-alpha-l-idopyranuranosyl-(1-4)-, 2,3,6-tris(hydrogen Sulfate), Nonasodium Salt

    24. Methyl (sodium 2,3,4-tri-o-methyl-6-o-sulfonato-.alpha.-d-glucopyranosyl)-(1->4)-(sodium 2,3-di-o-methyl-.beta.-d-glucopyranosylurate)-(1->4)-(trisodium 2,3,6-tri-o-sulfonato-.alpha.-d-glucopyranosyl)-(1->4)-(sodium -2,3-di-o-methyl-.alpha.-l-idopyranosyluronate)-(1->4)-(trisodium 2,3,6-tri-o-sulfonato-.alpha.-d-glucopyranoside)

    25. Methyl O-2,3,4-tri-o-methyl-6-o-sulfo-alpha-d-glucopyranosyl-(1-4)-o-2,3-di-o-methyl-beta-d-glucopyranuronosyl-(1-4)-o-2,3,6-tri-o-sulfo-alpha-d-glucopyranosyl-(1-4)-o-2,3-di-o-methyl-alpha-l-idopyranuronosyl-(1-4)-2,3,6-tri-o-sulfo-alpha-d-glucopyranoside Nonasodium

    2.4 Create Date
    2005-08-09
    3 Chemical and Physical Properties
    Molecular Weight 1727.2 g/mol
    Molecular Formula C38H55Na9O49S7
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count49
    Rotatable Bond Count26
    Exact Mass1725.8936149 g/mol
    Monoisotopic Mass1725.8936149 g/mol
    Topological Polar Surface Area761 Ų
    Heavy Atom Count103
    Formal Charge0
    Complexity3190
    Isotope Atom Count0
    Defined Atom Stereocenter Count25
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count10
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Factor Xa Inhibitors

    Endogenous factors and drugs that inhibit or block the activity of FACTOR XA. (See all compounds classified as Factor Xa Inhibitors.)