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    Rupatadine

    ACTIVE PHARMA INGREDIENTS

    INTERMEDIATES

    FINISHED DOSAGE FORMULATIONS

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    2D Structure
    Also known as: 182349-12-8, Rupatadin fumarate, Rupafin, Ur-12592 fumarate, Rupatadine (fumarate), Alergoliber
    Molecular Formula
    C30H30ClN3O4
    Molecular Weight
    532.0  g/mol
    InChI Key
    JYBLCDXVHQWMSU-WLHGVMLRSA-N
    FDA UNII
    XJ6OT32M93
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (E)-but-2-enedioic acid;13-chloro-2-[1-[(5-methylpyridin-3-yl)methyl]piperidin-4-ylidene]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
    2.1.2 InChI
    InChI=1S/C26H26ClN3.C4H4O4/c1-18-13-19(16-28-15-18)17-30-11-8-20(9-12-30)25-24-7-6-23(27)14-22(24)5-4-21-3-2-10-29-26(21)25;5-3(6)1-2-4(7)8/h2-3,6-7,10,13-16H,4-5,8-9,11-12,17H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
    2.1.3 InChI Key
    JYBLCDXVHQWMSU-WLHGVMLRSA-N
    2.1.4 Canonical SMILES
    CC1=CC(=CN=C1)CN2CCC(=C3C4=C(CCC5=C3N=CC=C5)C=C(C=C4)Cl)CC2.C(=CC(=O)O)C(=O)O
    2.1.5 Isomeric SMILES
    CC1=CC(=CN=C1)CN2CCC(=C3C4=C(CCC5=C3N=CC=C5)C=C(C=C4)Cl)CC2.C(=C/C(=O)O)\C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    XJ6OT32M93
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 182349-12-8

    2. Rupatadin Fumarate

    3. Rupafin

    4. Ur-12592 Fumarate

    5. Rupatadine (fumarate)

    6. Alergoliber

    7. Rinialer

    8. Xj6ot32m93

    9. 182349-12-8 (fumarate)

    10. Rupax

    11. 8-chloro-11-(1-((5-methylpyridin-3-yl)methyl)piperidin-4-ylidene)-6,11-dihydro-5h-benzo[5,6]cyclohepta[1,2-b]pyridine Fumarate

    12. Rupatadine Fumarate (jan)

    13. 1217234-48-4

    14. Rupatadine Fumarate [jan]

    15. (2e)-but-2-enedioic Acid; 13-chloro-2-{1-[(5-methylpyridin-3-yl)methyl]piperidin-4-ylidene}-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaene

    16. 5h-benzo[5,6]cyclohepta[1,2-b]pyridine, 8-chloro-6,11-dihydro-11-[1-[(5-methyl-3-pyridinyl)methyl]-4-piperidinylidene]-, (2e)-2-butenedioate (1:1)

    17. Mfcd00926499

    18. Unii-xj6ot32m93

    19. Rupatall

    20. Tamalis

    21. Wystamm

    22. Ralif

    23. Rinialer (tn)

    24. 5h-benzo(5,6)cyclohepta(1,2-b)pyridine, 8-chloro-6,11-dihydro-11-(1-((5-methyl-3-pyridinyl)methyl)-4-piperidinylidene)-, (2e)-2-butenedioate (1:1)

    25. Rupafin (tn)

    26. Rupatadine Fumarate- Bio-x

    27. 5h-benzo(5,6)cyclohepta(1,2-b)pyridine, 6,11-dihydro-8-chloro-11-(1-((5-methyl-3-pyridinyl)methyl)-4-piperidinylidene)-, (e)-2-butenedioate (1:1)

    28. 8-chloro-6,11-dihydro-11-[1-[(5-methyl-3-pyridyl)methyl]-4-piperidylidene]-5h-benzo[5,6]cyclohepta[1,2-b]pyridine Fumarate

    29. Mls006010150

    30. Schembl180121

    31. Schembl180512

    32. Rupatadine Fumarate [mi]

    33. Hms3885k05

    34. Bcp05230

    35. Hy-13511a

    36. Rupatadine Fumarate [who-dd]

    37. S3052

    38. Akos005145898

    39. Ac-9016

    40. Ccg-269922

    41. Cs-3482

    42. F76r825

    43. Ks-1229

    44. Br164385

    45. Rupatadine Fumarate [ep Monograph]

    46. Smr004701267

    47. Sw219889-1

    48. C73520

    49. D08497

    50. Q-201688

    51. Q27293863

    52. (e)-but-2-enedioic Acid;13-chloro-2-[1-[(5-methylpyridin-3-yl)methyl]piperidin-4-ylidene]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene

    2.4 Create Date
    2006-04-29
    3 Chemical and Physical Properties
    Molecular Weight 532.0 g/mol
    Molecular Formula C30H30ClN3O4
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count4
    Exact Mass531.1924841 g/mol
    Monoisotopic Mass531.1924841 g/mol
    Topological Polar Surface Area104 Ų
    Heavy Atom Count38
    Formal Charge0
    Complexity728
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Drug and Medication Information
    4.1 Drug Indication

    Treatment of allergic rhinitis, Treatment of chronic idiopathic urticaria