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    Technical details about Prestwick3_000826, learn more about the structure, uses, toxicity, action, side effects and more

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    Prestwick3_000826

    APIs // Active Pharmaceutical Ingredients

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    2D Structure
    1. Also known as: 959-14-8, N,n-diethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine, Oxolamina, Oksalamin, 683 m, Af 438
    Molecular Formula
    C14H19N3O
    Molecular Weight
    245.32  g/mol
    InChI Key
    IDCHQQSVJAAUQQ-UHFFFAOYSA-N
    FDA UNII
    90BEA145GY
    Oxolamine is not approved in the USA, it may be marketed elsewhere internationally as a cough suppressant. It is listed as a prescription drug in New Zealand legislation. Oxolamine is also approved in Taiwan for the treatment of respiratory tract inflamation.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N,N-diethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine
    2.1.2 InChI
    InChI=1S/C14H19N3O/c1-3-17(4-2)11-10-13-15-14(16-18-13)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
    2.1.3 InChI Key
    IDCHQQSVJAAUQQ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCN(CC)CCC1=NC(=NO1)C2=CC=CC=C2
    2.2 Other Identifiers
    2.2.1 UNII
    90BEA145GY
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 5-diethylaminoethyl-3-phenyl-1,2,4-oxadiazole

    2. Bredon

    3. Oxobron

    4. Oxolamine Citrate

    5. Oxolamine Monohydrochloride

    2.3.2 Depositor-Supplied Synonyms

    1. 959-14-8

    2. N,n-diethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine

    3. Oxolamina

    4. Oksalamin

    5. 683 M

    6. Af 438

    7. Oxadiazole; 683m

    8. 5-(2-diethylaminoethyl)-3-phenyl-1,2,4-oxadiazole

    9. Af-438 Free Base

    10. N,n-diethyl-3-phenyl-1,2,4-oxadiazole-5-ethanamine

    11. 90bea145gy

    12. Skf 9976 Free Base

    13. Skf-9976 Free Base

    14. Af-438 [as Citrate]

    15. Oxolamine (inn)

    16. Skf 9976 [as Citrate]

    17. 5-(2-dietilaminoetil)-3-fenil-1,2,4-oxadiazolo

    18. Oxolamine [inn]

    19. Oxolev

    20. Jatan

    21. 1,2,4-oxadiazole, 5-(2-(diethylamino)ethyl)-3-phenyl-

    22. Oxolev A

    23. Ossolamina [dcit]

    24. Oxolamina [italian]

    25. Ossolamina

    26. Oxolaminum

    27. Oxolamine [inn:dcf]

    28. N,n-diethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethan-1-amine

    29. Oxolaminum [inn-latin]

    30. Oxolamina [inn-spanish]

    31. Einecs 213-493-4

    32. Brn 0527181

    33. Unii-90bea145gy

    34. Oksalamin (tn)

    35. 3-phenyl-5-(beta-diethylaminoethyl)-1,2,4-oxodiazole

    36. 5-(2-dietilaminoetil)-3-fenil-1,2,4-oxadiazolo [italian]

    37. Oxolamine [mi]

    38. Prestwick0_000826

    39. Prestwick1_000826

    40. Prestwick2_000826

    41. Prestwick3_000826

    42. Oxolamine [mart.]

    43. Ec 213-493-4

    44. Oxolamine [who-dd]

    45. Bspbio_000751

    46. Schembl893333

    47. Spbio_002672

    48. Bpbio1_000827

    49. Zinc1874

    50. 1,2,4-oxadiazole-5-ethanamine, N,n-diethyl-3-phenyl-

    51. Chembl1620875

    52. Dtxsid5023403

    53. Chebi:94607

    54. Db13216

    55. Ncgc00179449-01

    56. Sbi-0207016.p001

    57. Ft-0748644

    58. D07387

    59. 959o148

    60. Q576684

    61. Brd-k42596464-048-03-6

    62. 3-phenyl-5-(.beta.-diethylaminoethyl)-1,2,4-oxodiazole

    63. N,n-diethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine 2-hydroxy-1,2,3-propanetricarboxylate

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 245.32 g/mol
    Molecular Formula C14H19N3O
    XLogP32.9
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count6
    Exact Mass245.152812238 g/mol
    Monoisotopic Mass245.152812238 g/mol
    Topological Polar Surface Area42.2 Ų
    Heavy Atom Count18
    Formal Charge0
    Complexity227
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    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

    Antitussive Agents

    Agents that suppress cough. They act centrally on the medullary cough center. EXPECTORANTS, also used in the treatment of cough, act locally. (See all compounds classified as Antitussive Agents.)

    4.2 ATC Code

    R - Respiratory system

    R05 - Cough and cold preparations

    R05D - Cough suppressants, excl. combinations with expectorants

    R05DB - Other cough suppressants

    R05DB07 - Oxolamine

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