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    Technical details about NCGC00024563-05, learn more about the structure, uses, toxicity, action, side effects and more

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    NCGC00024563-05

    APIs // Active Pharmaceutical Ingredients

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    2D Structure
    1. Also known as: Nazasetron, 123040-69-7, Azasetron [inn], 123039-99-6, 77hc7urr9z, N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide
    Molecular Formula
    C17H20ClN3O3
    Molecular Weight
    349.8  g/mol
    InChI Key
    WUKZPHOXUVCQOR-UHFFFAOYSA-N
    FDA UNII
    77HC7URR9Z
    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
    2.1.2 InChI
    InChI=1S/C17H20ClN3O3/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)
    2.1.3 InChI Key
    WUKZPHOXUVCQOR-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN1C(=O)COC2=C(C=C(C=C21)Cl)C(=O)NC3CN4CCC3CC4
    2.2 Other Identifiers
    2.2.1 UNII
    77HC7URR9Z
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Azasetron, (+-)-isomer

    2. 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

    3. Y 25130

    4. Y-25130

    2.3.2 Depositor-Supplied Synonyms

    1. Nazasetron

    2. 123040-69-7

    3. Azasetron [inn]

    4. 123039-99-6

    5. 77hc7urr9z

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

    7. Azasetron (inn)

    8. Ncgc00024563-02

    9. Y-25130

    10. Dsstox_cid_25651

    11. Dsstox_rid_81029

    12. Dsstox_gsid_45651

    13. 2h-1,4-benzoxazine-8-carboxamide, N-1-azabicyclo[2.2.2]oct-3-yl-6-chloro-3,4-dihydro-4-methyl-3-oxo-

    14. Cas-123040-69-7

    15. Seroton

    16. (r)-azasetron

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

    18. Azasetron [mi]

    19. Biomol-nt_000105

    20. Unii-77hc7urr9z

    21. Azasetron [who-dd]

    22. Schembl17190

    23. Bpbio1_001397

    24. Gtpl2285

    25. Chembl1598608

    26. Dtxsid7045651

    27. Schembl13186328

    28. Arazasetron, (+/-)-

    29. Chebi:91712

    30. Tox21 110906

    31. Tox21_110906

    32. Akos015964402

    33. Tox21_110906_1

    34. Sb18701

    35. (+-)-6-chloro-3,4-dihydro-4-methyl-3-oxo-n-3-quinuclidinyl-2h-1,4-benzoxazine-8-carboxamide

    36. (- )-6-chloro-3,4-dihydro-4-methyl-3-oxo-n-3-quinuclidinyl-2h-1,4-benzoxazine-8-carboxamide

    37. Ncgc00024563-03

    38. Ncgc00024563-04

    39. Ncgc00024563-05

    40. D07481

    41. Ab00640014_08

    42. 040a697

    43. Q4832285

    44. Brd-a44133049-001-01-5

    45. Brd-a68360487-003-01-0

    46. 6-chloro-3,4-dihydro-4-methyl-3-oxo-n-(3-quinuclidinyl)-2h-1,4-benzoxazine-8-carboxamide

    47. 6-chloro-3,4-dihyro-4-methyl-3-oxo-n-(3-quinuclidinyl)-2h-1,4-benzoxazine-8-carboxamide

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

    49. (+/-)-6-chloro-3,4-dihydro-4-methyl-3-oxo-n-3-quinuclidinyl-2h-1,4-benzoxazine-8-carboxamide

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

    2.4 Create Date
    2005-03-25
    3 Chemical and Physical Properties
    Molecular Weight 349.8 g/mol
    Molecular Formula C17H20ClN3O3
    XLogP31.6
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count2
    Exact Mass349.1193192 g/mol
    Monoisotopic Mass349.1193192 g/mol
    Topological Polar Surface Area61.9 Ų
    Heavy Atom Count24
    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 Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Antiemetics

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

    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.)

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