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    Oxeladin

    ACTIVE PHARMA INGREDIENTS

    MARKET PLACE

    PharmaCompass
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    2D Structure
    Also known as: 468-61-1, 2-(2-diethylaminoethoxy)ethyl 2-ethyl-2-phenylbutyrate, Oxelaidin citrate, 2-[2-(diethylamino)ethoxy]ethyl 2-ethyl-2-phenylbutanoate, Snc1080t5y, 2-ethyl-2-phenylbutyric acid 2-(2-diethylaminoethoxy)ethyl ester
    Molecular Formula
    C20H33NO3
    Molecular Weight
    335.5  g/mol
    InChI Key
    IQADUMSPOQKAAO-UHFFFAOYSA-N
    FDA UNII
    SNC1080T5Y
    Withdrawn from the Canadian, US, and UK markets in 1976 due to carcinogenicity.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[2-(diethylamino)ethoxy]ethyl 2-ethyl-2-phenylbutanoate
    2.1.2 InChI
    InChI=1S/C20H33NO3/c1-5-20(6-2,18-12-10-9-11-13-18)19(22)24-17-16-23-15-14-21(7-3)8-4/h9-13H,5-8,14-17H2,1-4H3
    2.1.3 InChI Key
    IQADUMSPOQKAAO-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCC(CC)(C1=CC=CC=C1)C(=O)OCCOCCN(CC)CC
    2.2 Other Identifiers
    2.2.1 UNII
    SNC1080T5Y
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2-(2-diethylaminoethoxy)ethyl 2-ethyl-2-phenylbutyrate

    2. Oxeladin Citrate

    3. Paxladine

    4. Pectamol

    5. Tussimol

    2.3.2 Depositor-Supplied Synonyms

    1. 468-61-1

    2. 2-(2-diethylaminoethoxy)ethyl 2-ethyl-2-phenylbutyrate

    3. Oxelaidin Citrate

    4. 2-[2-(diethylamino)ethoxy]ethyl 2-ethyl-2-phenylbutanoate

    5. Snc1080t5y

    6. 2-ethyl-2-phenylbutyric Acid 2-(2-diethylaminoethoxy)ethyl Ester

    7. Ethanol, 2-(2-(diethylamino)ethoxy)-, 2-ethyl-2-phenylbutyrate

    8. Oxeladin (inn)

    9. Oxeladina [inn-spanish]

    10. Oxeladin [inn]

    11. Butyric Acid, 2-ethyl-2-phenyl-, 2-(2-(diethylamino)ethoxy)ethyl Ester

    12. Oxeladine [inn-french]

    13. Oxeladinum [inn-latin]

    14. Oxeladinum

    15. Oxeladina

    16. Oxeladine

    17. Oxeladin [inn:ban:dcf]

    18. Einecs 207-412-1

    19. Brn 2003403

    20. Unii-snc1080t5y

    21. Oxelaidin

    22. Oxeladin Tannate

    23. Pectamol (salt/mix)

    24. Oxeladin [mi]

    25. Oxeladin [who-dd]

    26. Alpha,alpha-diethylbenzeneacetic Acid 2-(2-(diethylamino)ethoxy)ethyl Ester

    27. Ec 207-412-1

    28. 4-09-00-01906 (beilstein Handbook Reference)

    29. Mls001047519

    30. Schembl405413

    31. Chembl1500276

    32. Dtxsid0048343

    33. Chebi:135424

    34. Hms2800d17

    35. Hms3604m03

    36. Zinc3874580

    37. Stl059065

    38. Akos005711563

    39. Db04822

    40. Benzeneacetic Acid, .alpha.,.alpha.-diethyl-, 2-[2-(diethylamino)ethoxy]ethyl Ester

    41. Ncgc00389219-01

    42. Ncgc00389219-02

    43. Smr000425406

    44. Sbi-0207046.p001

    45. D08310

    46. Ab00658553_05

    47. Ab00658553_06

    48. Q4332778

    49. 2-[2-(diethylamino)ethoxy]ethyl 2-ethyl-2-phenylbutanoate #

    50. 2-(2-diethylaminoethoxy)-ethyl 2-ethyl-2-phenylbutyrate

    51. 2-(2-diethylaminoethoxy)ethyl .alpha.,.alpha.-diethylphenylacetate

    52. .alpha.,.alpha.-diethylbenzeneacetic Acid 2-(2-(diethylamino)ethoxy)ethyl Ester

    53. 2-ethyl-2-phenyl-butyric Acid 2-(2-diethylamino-ethoxy)-ethyl Ester; Compound With 3-carboxy-3-hydroxy-pentanedioic Acid

    2.4 Create Date
    2005-03-25
    3 Chemical and Physical Properties
    Molecular Weight 335.5 g/mol
    Molecular Formula C20H33NO3
    XLogP34
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count13
    Exact Mass335.24604391 g/mol
    Monoisotopic Mass335.24604391 g/mol
    Topological Polar Surface Area38.8 Ų
    Heavy Atom Count24
    Formal Charge0
    Complexity332
    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

    R05DB09 - Oxeladin