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    Ramatroban

    ACTIVE PHARMA INGREDIENTS

    DEVELOPMENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 116649-85-5, Baynas, Bay u3405, Bay u 3405, Bay-u-3405, Bay-u 3405
    Molecular Formula
    C21H21FN2O4S
    Molecular Weight
    416.5  g/mol
    InChI Key
    LDXDSHIEDAPSSA-OAHLLOKOSA-N
    FDA UNII
    P1ALI72U6C
    Ramatroban has been used in trials studying the treatment of Asthma.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid
    2.1.2 InChI
    InChI=1S/C21H21FN2O4S/c22-14-5-8-16(9-6-14)29(27,28)23-15-7-10-20-18(13-15)17-3-1-2-4-19(17)24(20)12-11-21(25)26/h1-6,8-9,15,23H,7,10-13H2,(H,25,26)/t15-/m1/s1
    2.1.3 InChI Key
    LDXDSHIEDAPSSA-OAHLLOKOSA-N
    2.1.4 Canonical SMILES
    C1CC2=C(CC1NS(=O)(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4N2CCC(=O)O
    2.1.5 Isomeric SMILES
    C1CC2=C(C[C@@H]1NS(=O)(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4N2CCC(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    P1ALI72U6C
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 3-(4-fluorophenylsulfonamido)-1,2,3,4-tetrahydro-9-carbazole Propanoic Acid

    2. Bay U 3405

    3. Bay U 3406

    4. Bay U-3405

    5. Bay U3405

    2.3.2 Depositor-Supplied Synonyms

    1. 116649-85-5

    2. Baynas

    3. Bay U3405

    4. Bay U 3405

    5. Bay-u-3405

    6. Bay-u 3405

    7. 3-[(3r)-3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic Acid

    8. (+)-(3r)-3-(p-fluorobenzenesulfonamido)-1,2,3,4-tetrahydrocarbazole-9-propionic Acid

    9. P1ali72u6c

    10. (r)-3-(3-(4-fluorophenylsulfonamido)-3,4-dihydro-1h-carbazol-9(2h)-yl)propanoic Acid

    11. 9h-carbazole-9-propanoic Acid, 3-[[(4-fluorophenyl)sulfonyl]amino]-1,2,3,4-tetrahydro-, (3r)-

    12. En-137774

    13. Chembl361812

    14. Ncgc00167519-01

    15. En 137774

    16. Bay U 3406

    17. Bay U-3405

    18. (3r)-3-[[(4-fluorophenyl)sulfonyl]amino]-1,2,3,4-tetrahydro-9h-carbazole-9-propanoic Acid

    19. Dsstox_cid_26685

    20. Dsstox_rid_81819

    21. Dsstox_gsid_46685

    22. [3h]ramatroban

    23. [3h]baynas

    24. Baynas (tn)

    25. Cas-116649-85-5

    26. Ramatroban (jan/inn)

    27. Ramatroban [inn:ban]

    28. Unii-p1ali72u6c

    29. 3-(4-fluorophenylsulfonamido)-1,2,3,4-tetrahydro-9-carbazole Propanoic Acid

    30. [3h]bay U 3405

    31. [3h]bay U3405

    32. 3r-[[(4-fluorophenyl)sulfonyl]amino]-1,2,3,4-tetrahydro-9h-carbazole-9-propanoic Acid

    33. (3r)-3-(((4-fluorophenyl)sulfonyl)amino)-1,2,3,4-tetrahydro-9h-carbazole-9-propanoic Acid

    34. 9h-carbazole-9-propanoic Acid, 3-(((4-fluorophenyl)sulfonyl)amino)-1,2,3,4-tetrahydro-, (3r)-

    35. Mfcd00887606

    36. Ramatroban [mi]

    37. Ramatroban [inn]

    38. Ramatroban [jan]

    39. Ramatroban [mart.]

    40. 9h-carbazole-9-propanoic Acid, 3-(((4-fluorophenyl)sulfonyl)amino)-1,2,3,4-tetrahydro-, (r)-

    41. Ramatroban [who-dd]

    42. Ramatroban (bay U3405)

    43. Schembl29030

    44. Mls006010637

    45. Gtpl1910

    46. Gtpl1911

    47. Dtxsid1046685

    48. Chebi:32087

    49. Hms3648e21

    50. Bay U3405;bay-u3405

    51. Ex-a4208

    52. Hy-b0745

    53. Zinc3798772

    54. Tox21_112516

    55. Ac-719

    56. Bdbm50161746

    57. S5286

    58. Akos015966619

    59. Ramatroban, >=98% (hplc), Solid

    60. Tox21_112516_1

    61. Ccg-268842

    62. Db13036

    63. Ks-1310

    64. Ncgc00167519-02

    65. Ncgc00167519-04

    66. Ncgc00167519-07

    67. Smr002530322

    68. R0144

    69. D01128

    70. 649f855

    71. A803658

    72. Sr-01000883932

    73. Sr-01000946208

    74. J-003466

    75. Sr-01000883932-1

    76. Sr-01000946208-1

    77. Q10357327

    78. (r)-3-(3-(4-fluorophenylsulfonamido)-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic Acid

    79. (r)-3-(3-(4-fluorophenylsulfonamido)-3,4-dihydro-1h-carbazol-9(2h)-yl)propanoicacid

    80. [(4-fluorophenyl)sulfonylamino] 3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoate

    81. 3(r)-[[(4-fluoro-phenyl) Sulfonyl]amino]-1,2,3,4-tetrahydro-9h-carbazole-9-propanoic Acid

    82. 3-[(r)-3-(4-fluoro-benzenesulfonylamino)-1,2,3,4-tetrahydro-carbazol-9-yl]-propionic Acid

    83. A8x

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 416.5 g/mol
    Molecular Formula C21H21FN2O4S
    XLogP32.9
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count6
    Exact Mass416.12060649 g/mol
    Monoisotopic Mass416.12060649 g/mol
    Topological Polar Surface Area96.8 Ų
    Heavy Atom Count29
    Formal Charge0
    Complexity689
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Platelet Aggregation Inhibitors

    Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system. (See all compounds classified as Platelet Aggregation Inhibitors.)