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    Tandospirone Citrate

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
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    2D Structure
    Also known as: Tandospirone citrate, 112457-95-1, Sediel, Sm-3997 citrate, 0r8e9bwm4j, Chebi:32182
    Molecular Formula
    C27H37N5O9
    Molecular Weight
    575.6  g/mol
    InChI Key
    DMLGUJHNIWGCKM-DPFKZJTMSA-N
    FDA UNII
    0R8E9BWM4J
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-hydroxypropane-1,2,3-tricarboxylic acid;(1R,2S,6R,7S)-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
    2.1.2 InChI
    InChI=1S/C21H29N5O2.C6H8O7/c27-19-17-15-4-5-16(14-15)18(17)20(28)26(19)9-2-1-8-24-10-12-25(13-11-24)21-22-6-3-7-23-21;7-3(8)1-6(13,5(11)12)2-4(9)10/h3,6-7,15-18H,1-2,4-5,8-14H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t15-,16+,17+,18-;
    2.1.3 InChI Key
    DMLGUJHNIWGCKM-DPFKZJTMSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    0R8E9BWM4J
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Tandospirone Citrate

    2. 112457-95-1

    3. Sediel

    4. Sm-3997 Citrate

    5. 0r8e9bwm4j

    6. Chebi:32182

    7. 4,7-methano-1h-isoindole-1,3(2h)-dione, Hexahydro-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-, (3aalpha,4beta,7beta,7aalpha)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)

    8. Refchem:1069572

    9. Sm 3997

    10. Tandospirone Citrate [usan]

    11. Rel-(3ar,4s,7r,7as)-2-(4-(4-(pyrimidin-2-yl)piperazin-1-yl)butyl)hexahydro-1h-4,7-methanoisoindole-1,3(2h)-dione 2-hydroxypropane-1,2,3-tricarboxylate

    12. Mfcd01939743

    13. (1r*,2s*,3r*,4s*)-n-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-2,3-norbornanedicarboximide Citrate (1:1)

    14. 2-hydroxypropane-1,2,3-tricarboxylic Acid;(1r,2s,6r,7s)-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione

    15. Tandopsirone Citrate

    16. Unii-0r8e9bwm4j

    17. Metanopirone Citrate

    18. Sediel (tn)

    19. Schembl121034

    20. Orb1299843

    21. Chembl2103888

    22. Tandospirone Citrate [mi]

    23. Tandospirone Citrate (jan/usan)

    24. C27h37n5o9

    25. Dtxsid701350198

    26. Tandospirone Citrate [jan]

    27. Hy-b0061

    28. Tandospirone Citrate [mart.]

    29. Tandospirone Citrate [who-dd]

    30. Cs-4598

    31. Ac-37193

    32. Bs-52068

    33. Sy275044

    34. D01992

    35. D83650

    36. Q23702074

    37. (3ar,4s,7r,7as)-rel-hexahydro-2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-4,7-methano-1h-isoindole-1,3(2h)-dione 2-hydroxy-1,2,3-propanetricarboxylate (1:1)

    38. 2-hydroxypropane-1,2,3-tricarboxylic Acid;(1s,2r,6s,7r)-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione

    39. 4,7-methano-1h-isoindole-1,3(2h)-dione, Hexahydro-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-, (3a.alpha.,4.beta.,7.beta.,7a.alpha.)-, 2-hydroxy-1,2,3-propanetricarboxylate

    40. 4,7-methano-1h-isoindole-1,3(2h)-dione, Hexahydro-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-, (3a.alpha.,4.beta.,7.beta.,7a.alpha.)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)

    41. 4,7-methano-1h-isoindole-1,3(2h)-dione, Hexahydro-2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-, (3ar,4s,7r,7as)-rel-citrate

    42. 99095-12-2

    43. Citric Acid;(1s,2r,6s,7r)-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione

    44. Rel-(3ar,4s,7r,7as)-2-(4-(4-(pyrimidin-2-yl)piperazin-1-yl)butyl)hexahydro-1h-4,7-methanoisoindole-1,3(2h)-dione2-hydroxypropane-1,2,3-tricarboxylate

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 575.6 g/mol
    Molecular Formula C27H37N5O9
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count13
    Rotatable Bond Count11
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area202
    Heavy Atom Count41
    Formal Charge0
    Complexity799
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
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