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    Chemistry

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    Also known as: 155648-60-5, Minodronic acid hydrate, (1-hydroxy-2-(imidazo[1,2-a]pyridin-3-yl)ethane-1,1-diyl)diphosphonic acid hydrate, Minodronic acid hydrate [jan], Ym-529 (hydrate), Minodronic acid (hydrate)
    Molecular Formula
    C9H14N2O8P2
    Molecular Weight
    340.16  g/mol
    InChI Key
    GPAPAOGRNKUFGH-UHFFFAOYSA-N
    FDA UNII
    457X74V7ND
    Minodronic Acid
    1 2D Structure

    Minodronic Acid

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1-hydroxy-2-imidazo[1,2-a]pyridin-3-yl-1-phosphonoethyl)phosphonic acid;hydrate
    2.1.2 InChI
    InChI=1S/C9H12N2O7P2.H2O/c12-9(19(13,14)15,20(16,17)18)5-7-6-10-8-3-1-2-4-11(7)8;/h1-4,6,12H,5H2,(H2,13,14,15)(H2,16,17,18);1H2
    2.1.3 InChI Key
    GPAPAOGRNKUFGH-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC2=NC=C(N2C=C1)CC(O)(P(=O)(O)O)P(=O)(O)O.O
    2.2 Other Identifiers
    2.2.1 UNII
    457X74V7ND
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. (1-hydroxy-2-(imidazo(1,2-a)-pyridin-3-yl)ethylidene)bisphosphonic Acid Monohydrate

    2. 1-hydroxy-2-(imidazo(1,2-a)pyridin-3-yl)ethane-1,1-bisphosphonic Acid Monohydrate

    3. Minodronate

    4. Minodronic Acid Hydrate

    5. Ono-5920

    6. Phosphonic Acid, (1-hydroxy-2-imidazo(1,2-a)pyridin-3-ylethylidene)bis-

    7. Yh 529

    8. Yh-529

    9. Yh529

    10. Ym 529

    11. Ym-529

    12. Ym529

    2.3.2 Depositor-Supplied Synonyms

    1. 155648-60-5

    2. Minodronic Acid Hydrate

    3. (1-hydroxy-2-(imidazo[1,2-a]pyridin-3-yl)ethane-1,1-diyl)diphosphonic Acid Hydrate

    4. Minodronic Acid Hydrate [jan]

    5. Ym-529 (hydrate)

    6. Minodronic Acid (hydrate)

    7. 457x74v7nd

    8. (1-hydroxy-2-imidazo[1,2-a]pyridin-3-yl-1-phosphonoethyl)phosphonic Acid;hydrate

    9. Phosphonic Acid, (1-hydroxy-2-imidazo(1,2-a)pyridin-3-ylethylidene)bis-, Monohydrate

    10. Phosphonic Acid, P,p'-(1-hydroxy-2-imidazo(1,2-a)pyridin-3-ylethylidene)bis-, Hydrate (1:1)

    11. Minodronic Acid Hydrate (jan)

    12. Phosphonic Acid, P,p'-(1-hydroxy-2-imidazo[1,2-a]pyridin-3-ylethylidene)bis-, Hydrate (1:1)

    13. Minodronate Hydrate

    14. Minodronate Monohydrate

    15. Unii-457x74v7nd

    16. Recalbon (tn)

    17. Bonoteo (tn)

    18. 127657-42-5

    19. Schembl6009958

    20. Dtxsid80165944

    21. Bcp28470

    22. Akos022186525

    23. Minodronic Acid Monohydrate [mi]

    24. Ac-25762

    25. Ft-0689647

    26. D09198

    27. F78008

    28. A848235

    29. Q27258817

    30. (1-hydroxy-2-(imidazo[1,2-a]pyridin-3-yl)ethane-1,1-diyl)diphosphonicacidhydrate

    31. (1-hydroxy-2-{imidazo[1,2-a]pyridin-3-yl}-1-phosphonoethyl)phosphonic Acid Hydrate

    2.4 Create Date
    2007-12-05
    3 Chemical and Physical Properties
    Molecular Weight 340.16 g/mol
    Molecular Formula C9H14N2O8P2
    Hydrogen Bond Donor Count6
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count4
    Exact Mass340.02253940 g/mol
    Monoisotopic Mass340.02253940 g/mol
    Topological Polar Surface Area154 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity439
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2

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