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    Azasetron Hydrochloride

    ACTIVE PHARMA INGREDIENTS

    INTERMEDIATES

    FINISHED DOSAGE FORMULATIONS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 123040-16-4, Azasetron hcl, 123040-69-7, Serotone, Y-25130 hydrochloride, Azasetron (hydrochloride)
    Molecular Formula
    C17H21Cl2N3O3
    Molecular Weight
    386.3  g/mol
    InChI Key
    DBMKBKPJYAHLQP-UHFFFAOYSA-N
    FDA UNII
    2BSS7XL60S
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide;hydrochloride
    2.1.2 InChI
    InChI=1S/C17H20ClN3O3.ClH/c1-20-14-7-11(18)6-12(16(14)24-9-15(20)22)17(23)19-13-8-21-4-2-10(13)3-5-21;/h6-7,10,13H,2-5,8-9H2,1H3,(H,19,23);1H
    2.1.3 InChI Key
    DBMKBKPJYAHLQP-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN1C(=O)COC2=C(C=C(C=C21)Cl)C(=O)NC3CN4CCC3CC4.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    2BSS7XL60S
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Azasetron

    2. Azasetron, (+-)-isomer

    3. N-(1-azabicyclo(2.2.2)oct-3-yl)-6-chloro-4-methyl-3-oxo-3,4 -dihydro-2h-1,4-benzoxazine-8-carboxamide Hydrochloride

    4. Y 25130

    5. Y-25130

    2.3.2 Depositor-Supplied Synonyms

    1. 123040-16-4

    2. Azasetron Hcl

    3. 123040-69-7

    4. Serotone

    5. Y-25130 Hydrochloride

    6. Azasetron (hydrochloride)

    7. 141922-90-9

    8. Azasetron Hydrochloride [jan]

    9. (-)-azasetron Hydrochloride

    10. 2bss7xl60s

    11. 123040-93-7

    12. Y-25130 Hcl

    13. N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide;hydrochloride

    14. Azasetronhydrochloride

    15. 123040-96-0

    16. 2h-1,4-benzoxazine-8-carboxamide, N-1-azabicyclo[2.2.2]oct-3-yl-6-chloro-3,4-dihydro-4-methyl-3-oxo-, Hydrochloride (1:1)

    17. 6-chloro-4-methyl-3-oxo-n-(quinuclidin-3-yl)-3,4-dihydro-2h-benzo[b][1,4]oxazine-8-carboxamide Hydrochloride

    18. Azasetron Hydrochloride (jan)

    19. Y-25130

    20. Smr000466285

    21. Unii-2bss7xl60s

    22. Y 25130

    23. Serotone (tn)

    24. Azasetron Hydrochlorid

    25. Nazasetron Hydrochloride

    26. (+)-azasetron Hydrochloride

    27. Azastron Hydrochloride ,(s)

    28. 2h-1,4-benzoxazine-8-carboxamide, N-1-azabicyclo(2.2.2)oct-3-yl-6-chloro-3,4-dihydro-4-methyl-3-oxo-, Monohydrochloride

    29. Azasetron-[d3] Hydrochloride

    30. Mls000758245

    31. Mls001424223

    32. Mls006011207

    33. Schembl442156

    34. Chembl4303332

    35. Chebi:31246

    36. Dtxsid00924358

    37. Azasetron-[13c,d3] Hydrochloride

    38. Amy33416

    39. Bcp12756

    40. Ex-a5779

    41. Hy-b0068

    42. Yea04016

    43. Azasetron Hydrochloride [mi]

    44. Mfcd00209913

    45. S2106

    46. Akos005766024

    47. Akos015914040

    48. Ac-6811

    49. Azasetron Hydrochloride [mart.]

    50. Ccg-101059

    51. Ccg-268475

    52. Nc00309

    53. Azasetron Hydrochloride [who-dd]

    54. 123040-94-8

    55. 2h-1,4-benzoxazine-8-carboxamide, 3,4-dihydro-n-1-azabicyclo(2.2.2)oct-3-yl-6-chloro-4-methyl-3-oxo-, Monohydrochloride

    56. 477243-03-1

    57. As-75079

    58. N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide Hydrochloride

    59. Arazasetron Hydrochloride, (+/-)-

    60. Ft-0602906

    61. Ft-0662373

    62. Ft-0688447

    63. Ft-0689462

    64. 2-(4-chlorophenoxy)pyridine-3-carbonylchloride

    65. D01613

    66. 040a164

    67. A805009

    68. Sr-01000597808

    69. J-004884

    70. J-004885

    71. J-519607

    72. Sr-01000597808-1

    73. Q27254532

    74. 4-([4-(4-methyloxy-phenyl)-piperazin-1-yl]-phenyl)-carbamicacidphenylester

    75. (+)-6-chloro-4-methyl-3-oxo-3,4-dihydro-2h-benzo[1,4]oxazine-8-carboxylic Acid (1-aza-bicyclo[2.2.2]oct-3-yl)-amide Hydrochloride

    76. (-)-6-chloro-4-methyl-3-oxo-3,4-dihydro-2h-benzo[1,4]oxazine-8-carboxylic Acid (1-aza-bicyclo[2.2.2]oct-3-yl)-amide Hydrochloride

    77. 6-chloro-3,4-dihydro-4-methyl-3-oxo-n-(3-quinuclidinyl)-2h-1,4-benzoxazine-8-carboxamide Hydrochloride

    78. 6-chloro-4-methyl-3-oxo-3,4-dihydro-2h-benzo[1,4]oxazine-8-carboxylic Acid (1-aza-bicyclo[2.2.2]oct-3-yl)-amide Hydrochloride

    79. N-(1-azabicyclo[2.2.2]oct-3-yl)-6-chloro-4-methyl-3-oxo-3,4-dihydro-2h-1,4-benzoxazine-8-carboxamide Hydrochloride

    80. N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloranyl-4-methyl-3-oxidanylidene-1,4-benzoxazine-8-carboxamide Hydrochloride

    81. N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-4-methyl-3-oxo-3,4-dihydro-2h-1,4-benzoxazine-8-carboximidic Acid--hydrogen Chloride (1/1)

    82. N-{1-azabicyclo[2.2.2]octan-3-yl}-6-chloro-4-methyl-3-oxo-3,4-dihydro-2h-1,4-benzoxazine-8-carboxamide Hydrochloride

    83. N-1-azabicyclo[2.2.2]-oct-3-yl-6-chloro-3,4-dihydro-4-methyl-3-oxo-2h-1,4-benzoxazine-8-carboxamide Hydrochloride

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 386.3 g/mol
    Molecular Formula C17H21Cl2N3O3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count2
    Exact Mass385.0959969 g/mol
    Monoisotopic Mass385.0959969 g/mol
    Topological Polar Surface Area61.9 Ų
    Heavy Atom Count25
    Formal Charge0
    Complexity523
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Serotonin Antagonists

    Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or SEROTONIN RECEPTOR AGONISTS. (See all compounds classified as Serotonin Antagonists.)

    Antiemetics

    Drugs used to prevent NAUSEA or VOMITING. (See all compounds classified as Antiemetics.)