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    CAS 103639-04-9

    MARKET PLACE

    PharmaCompass
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    2D Structure
    Also known as: 103639-04-9, Zofran, Zophren, Ondansetron hydrochloride hydrate, Gr 38032f, 99614-01-4
    Molecular Formula
    C18H24ClN3O3
    Molecular Weight
    365.9  g/mol
    InChI Key
    VRSLTNZJOUZKLX-UHFFFAOYSA-N
    FDA UNII
    NMH84OZK2B
    A competitive serotonin type 3 receptor antagonist. It is effective in the treatment of nausea and vomiting caused by cytotoxic chemotherapy drugs, including cisplatin, and has reported anxiolytic and neuroleptic properties.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one;dihydrate;hydrochloride
    2.1.2 InChI
    InChI=1S/C18H19N3O.ClH.2H2O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2;;;/h3-6,9-10,13H,7-8,11H2,1-2H3;1H;2*1H2
    2.1.3 InChI Key
    VRSLTNZJOUZKLX-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=NC=CN1CC2CCC3=C(C2=O)C4=CC=CC=C4N3C.O.O.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    NMH84OZK2B
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 4h-carbazol-4-one, 1,2,3,9-tetrahydro-9-methyl-3-((2-methyl-1h-imidazol-1-yl)methyl)-

    2. Dihydrate, Ondansetron Monohydrochloride

    3. Gr 38032f

    4. Gr-38032f

    5. Gr38032f

    6. Hydrochloride, Ondansetron

    7. Monohydrochloride Dihydrate, Ondansetron

    8. Monohydrochloride, Ondansetron

    9. Odt, Zofran

    10. Ondansetron

    11. Ondansetron Hydrochloride

    12. Ondansetron Monohydrochloride

    13. Ondansetron Monohydrochloride Dihydrate

    14. Ondansetron, (+,-)-isomer

    15. Ondansetron, (r)-isomer

    16. Ondansetron, (s)-isomer

    17. Sn 307

    18. Sn-307

    19. Sn307

    20. Zofran

    21. Zofran Odt

    2.3.2 Depositor-Supplied Synonyms

    1. 103639-04-9

    2. Zofran

    3. Zophren

    4. Ondansetron Hydrochloride Hydrate

    5. Gr 38032f

    6. 99614-01-4

    7. Sn 307

    8. Ondansetron Hcl Dihydrate

    9. Ondansetron Monohydrochloride

    10. Gr-38032f

    11. Sn-307

    12. Odansetron Hydrochloride

    13. Zofran Odt

    14. Ondansetron (hydrochloride Dihydrate)

    15. Nmh84ozk2b

    16. Ondansetron (as Hydrochloride)

    17. 9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1h-carbazol-4-one;dihydrate;hydrochloride

    18. Gr 38032

    19. Gr-c507/75

    20. Unii-nmh84ozk2b

    21. Setofilm

    22. Setrodon

    23. Zensana

    24. Zofrene

    25. Yatrox

    26. Zofran Zydis

    27. 9-methyl-3-((2-methyl-1h-imidazol-1-yl)methyl)-2,3-dihydro-1h-carbazol-4(9h)-one Hydrochloride Dihydrate

    28. Mfcd00374371

    29. Zofran (tn)

    30. Ondansetron Hydrochloride [usan:usp:jan]

    31. 9-methyl-3-((2-methyl-1h-imidazol-1-yl)methyl)-1,2,3,9-tetrahydro-4h-carbazol-4-one Hydrochloride Dihydrate

    32. Ncgc00016968-01

    33. Dsstox_cid_28783

    34. Dsstox_rid_83052

    35. Cas-103639-04-9

    36. Dsstox_gsid_48857

    37. (+-)-2,3-dihydro-9-methyl-3-((2-methylimidazol-1-yl)methyl)carbazol-4(1h)-one Monohydrochloride Dihydrate

    38. Ondansetron Hydrochloride,(s)

    39. Chebi:7774

    40. Ondansetronhydrochloridedihydrate

    41. Chembl3186492

    42. Dtxsid9048857

    43. Hy-b0002a

    44. Rhb-102

    45. Ondansetron (hydrochloride Hydrate)

    46. Bcp21778

    47. Tox21_113345

    48. Ac-667

    49. Gg-032

    50. S4748

    51. Ondansetron For Lc System Suitability

    52. Akos015994673

    53. Ondansetron For Tlc System Suitability

    54. Bcp9001026

    55. Ccg-268235

    56. Cs-1716

    57. Gr-c505/75

    58. Ks-1091

    59. To-2061

    60. W39o049

    61. Ondansetron Hydrochloride [usan]

    62. Ondansetron Hydrochloride [mart.]

    63. Ondansetron Hydrochloride [vandf]

    64. 4h-carbazol-4-one, 1,2,3,9-tetrahydro-9-methyl-3-((2-methyl-1h-imidazol-1-yl)methyl)-, Monohydrochloride, (+-)-, Dihydrate

    65. Ac-30904

    66. Bo164178

    67. Ondansetron Hydrochloride [usp-rs]

    68. Ondansetron Hydrochloride Dihydrate- Bio-x

    69. Db-040472

    70. Ft-0631028

    71. Ondansetron Hydrochloride Hydrate (jan/usp)

    72. C71153

    73. D00678

    74. Ondansetron Hydrochloride [orange Book]

    75. Ondansetron Hydrochloride Dihydrate [mi]

    76. Ondansetron Hydrochloride Hydrate [jan]

    77. Ondansetron Hydrochloride [usp Monograph]

    78. Gr 38032;sn 307;nsc 665799

    79. Ondansetron Hydrochloride Dihydrate [who-dd]

    80. Q27284954

    81. Ondansetron Hydrochloride Dihydrate [ep Monograph]

    82. Ondansetron Hydrochloride Dihydrate, >=98% (hplc), Powder

    83. Ondansetron For Lc System Suitability, European Pharmacopoeia (ep) Reference Standard

    84. Ondansetron For Tlc System Suitability, European Pharmacopoeia (ep) Reference Standard

    85. Ondansetron Hydrochloride Dihydrate, European Pharmacopoeia (ep) Reference Standard

    86. Ondansetron Hydrochloride, Pharmaceutical Secondary Standard; Certified Reference Material

    87. Ondansetron Hydrochloride, United States Pharmacopeia (usp) Reference Standard

    88. (+/-)-2,3-dihydro-9-methyl-3-((2-methylimidazol-1-yl)methyl)carbazol-4(1h)-one Monohydrochloride Dihydrate

    89. 1,2,3,9-tetrahydro-9-methyl-3-[(2-methyl-1h-imidazol-1-yl)methyl]-4h-carbazol-4-one Hydrochloride Dihydrate

    90. 1,2,3,9-tetrahydro-9-methyl-3-[(2-methyl-1h-imidazole-1-yl)methyl]-4h-carbazol-4-one Hydrochloride Dihydrate

    91. 4h-carbazol-4-one, 1,2,3,9-tetrahydro-9-methyl-3-((2-methyl-1h-imidazol-1-yl)methyl)-, Hydrochloride, Hydrate (1:1:2)

    92. 4h-carbazol-4-one, 1,2,3,9-tetrahydro-9-methyl-3-((2-methyl-1h-imidazol-1-yl)methyl)-, Monohydrochloride, (+/-)-, Dihydrate

    93. 4h-carbazol-4-one,1,2,3,9-tetrahydro-9-methyl-3-[(2-methyl-1h-imidazol-1-yl)methyl]-,monohydrochloride, Dihydrate

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 365.9 g/mol
    Molecular Formula C18H24ClN3O3
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count2
    Exact Mass365.1506193 g/mol
    Monoisotopic Mass365.1506193 g/mol
    Topological Polar Surface Area41.8 Ų
    Heavy Atom Count25
    Formal Charge0
    Complexity440
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count4
    4 Drug and Medication Information
    4.1 Drug Information
    1 of 1  
    Drug NameZOFRAN
    Active IngredientONDANSETRON HYDROCHLORIDE
    CompanyNOVARTIS PHARMS CORP (Application Number: N020103); NOVARTIS PHARMS CORP (Application Number: N020605)

    5 Pharmacology and Biochemistry
    5.1 MeSH Pharmacological Classification

    Antiemetics

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

    Antipruritics

    Agents, usually topical, that relieve itching (pruritus). (See all compounds classified as Antipruritics.)

    Serotonin 5-HT3 Receptor Antagonists

    Drugs that bind to but do not activate SEROTONIN 5-HT3 RECEPTORS, thereby blocking the actions of SEROTONIN or SEROTONIN 5-HT3 RECEPTOR AGONISTS. (See all compounds classified as Serotonin 5-HT3 Receptor Antagonists.)