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    Butamirate Citrate

    ACTIVE PHARMA INGREDIENTS

    INTERMEDIATES

    FINISHED DOSAGE FORMULATIONS

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    PharmaCompass
    $ API Ref.Price (USD/KG) : 252Xls

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    2D Structure
    Also known as: 18109-81-4, Abbott 36581, Butamirate citrate [usan], Hh 197, Hh-197, Abbott-36581
    Molecular Formula
    C24H37NO10
    Molecular Weight
    499.6  g/mol
    InChI Key
    JVKMHUAWFDGPTF-UHFFFAOYSA-N
    FDA UNII
    67HP51L98R
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[2-(diethylamino)ethoxy]ethyl 2-phenylbutanoate;2-hydroxypropane-1,2,3-tricarboxylic acid
    2.1.2 InChI
    InChI=1S/C18H29NO3.C6H8O7/c1-4-17(16-10-8-7-9-11-16)18(20)22-15-14-21-13-12-19(5-2)6-3;7-3(8)1-6(13,5(11)12)2-4(9)10/h7-11,17H,4-6,12-15H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
    2.1.3 InChI Key
    JVKMHUAWFDGPTF-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCC(C1=CC=CC=C1)C(=O)OCCOCCN(CC)CC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    67HP51L98R
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2-(2-(diethylamino)ethoxy)ethyl-2-phenylbutyrate Citrate

    2. 2-(2-diethylaminoethoxy)ethyl-2-phenylbutamyrate Dihydrogen Citrate

    3. Butamirate

    4. Butamyrate Citrate

    5. Hh 197

    6. Sinecod

    2.3.2 Depositor-Supplied Synonyms

    1. 18109-81-4

    2. Abbott 36581

    3. Butamirate Citrate [usan]

    4. Hh 197

    5. Hh-197

    6. Abbott-36581

    7. Butamirate (citrate)

    8. Acodeen

    9. Sincodeen

    10. Sincodin

    11. Sincodix

    12. Sinecod

    13. 2-(2-(diethylamino)ethoxy)ethyl 2-phenylbutyrate Citrate (1:1)

    14. 67hp51l98r

    15. 2-[2-(diethylamino)ethoxy]ethyl 2-phenylbutanoate;2-hydroxypropane-1,2,3-tricarboxylic Acid

    16. Sincodex

    17. Butamirate Citrate (usan)

    18. Butamyrate Citrate

    19. Dsstox_cid_26270

    20. Dsstox_rid_81497

    21. Dsstox_gsid_46270

    22. Cas-18109-81-4

    23. Einecs 242-006-8

    24. Unii-67hp51l98r

    25. Oxeladin Impurity D

    26. 2-(2-(diethylamino)ethoxy)-ethyl 2-phenylbutyrate Citrate

    27. Phenyl Acetic Acid Diethylaminoethoxyethanol Ester Citrate

    28. 2-phenylbutyric Acid 2-(2-(diethylamino)ethoxy)ethyl Ester Citrate

    29. Butamirate-[d5] Citrate

    30. Alpha-ethylbenzeneacetic Acid 2-(2-(diethylamino)ethoxy)ethyl Ester Citrate

    31. Schembl636120

    32. Butamirate Citrate [mi]

    33. Chembl2106133

    34. Dtxsid0046270

    35. Butamirate Citrate [mart.]

    36. Bcp22355

    37. Butamirate Citrate [who-dd]

    38. Tox21_111952

    39. Stk069532

    40. Akos005390008

    41. Diethyl(2-(2-(2-phenylbutyroyloxy)ethoxy)ethyl)ammonium Dihydrogencitrate

    42. Tox21_111952_1

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

    44. Ncgc00160645-02

    45. Alpha-ethylbenzeneacetic Acid, 2-(2-(diethylamino)ethoxy)ethyl Ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)

    46. Benzeneacetic Acid, Alpha-ethyl-2-(2-(diethylamino)ethoxy)ethyl Ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)

    47. Ft-0663922

    48. Ft-0663923

    49. D03184

    50. J-011560

    51. Q27264132

    52. Alpha-(ethyl)benzeneacetic Acid 2-[2-(diethylamino)ethoxy]ethyl Ester

    53. 2-[2-(diethylamino)ethoxy]ethyl 2-phenylbutanoate 2-hydroxypropane-1,2,3-tricarboxylate (salt)

    54. Benzeneacetic Acid, .alpha.-ethyl-2-(2-(diethylamino)ethoxy)ethyl Ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 499.6 g/mol
    Molecular Formula C24H37NO10
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count11
    Rotatable Bond Count17
    Exact Mass499.24174638 g/mol
    Monoisotopic Mass499.24174638 g/mol
    Topological Polar Surface Area171 Ų
    Heavy Atom Count35
    Formal Charge0
    Complexity513
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2