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    Trimebutine Maleate

    ACTIVE PHARMA INGREDIENTS

    INTERMEDIATES

    FINISHED DOSAGE FORMULATIONS

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    REF. STANDARDS & IMPURITIES

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    2D Structure
    Also known as: 34140-59-5, Debridat, Polibutin, Trimebutine maleate salt, Trimebutine (maleate), Trimebutine maleate [jan]
    Molecular Formula
    C26H33NO9
    Molecular Weight
    503.5  g/mol
    InChI Key
    FSRLGULMGJGKGI-BTJKTKAUSA-N
    FDA UNII
    H4XZJ9GX7T
    Proposed spasmolytic with possible local anesthetic action used in gastrointestinal disorders.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (Z)-but-2-enedioic acid;[2-(dimethylamino)-2-phenylbutyl] 3,4,5-trimethoxybenzoate
    2.1.2 InChI
    InChI=1S/C22H29NO5.C4H4O4/c1-7-22(23(2)3,17-11-9-8-10-12-17)15-28-21(24)16-13-18(25-4)20(27-6)19(14-16)26-5;5-3(6)1-2-4(7)8/h8-14H,7,15H2,1-6H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
    2.1.3 InChI Key
    FSRLGULMGJGKGI-BTJKTKAUSA-N
    2.1.4 Canonical SMILES
    CCC(COC(=O)C1=CC(=C(C(=C1)OC)OC)OC)(C2=CC=CC=C2)N(C)C.C(=CC(=O)O)C(=O)O
    2.1.5 Isomeric SMILES
    CCC(COC(=O)C1=CC(=C(C(=C1)OC)OC)OC)(C2=CC=CC=C2)N(C)C.C(=C\C(=O)O)\C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    H4XZJ9GX7T
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Debridat

    2. Maleate Salt, Trimebutine

    3. Maleate, Trimebutine

    4. Modulon

    5. Polibutin

    6. Salt, Trimebutine Maleate

    7. Tm 906

    8. Tm-906

    9. Tm906

    10. Transacalm

    11. Trimebutine

    12. Trimebutine Maleate Salt

    2.3.2 Depositor-Supplied Synonyms

    1. 34140-59-5

    2. Debridat

    3. Polibutin

    4. Trimebutine Maleate Salt

    5. Trimebutine (maleate)

    6. Trimebutine Maleate [jan]

    7. Dkm38hxx5a

    8. H4xzj9gx7t

    9. 2-(dimethylamino)-2-phenylbutyl 3,4,5-trimethoxybenzoate Maleate

    10. Trimebutine Maleate, (+)-

    11. Trimebutine Maleate, (-)-

    12. Smr000058893

    13. Mls000028659

    14. 2a051gm4ym

    15. 3,4,5-trimethoxybenzoic Acid 2-(dimethylamino)-2-phenylbutyl Ester Maleate Salt

    16. Nsc-758900

    17. 58997-92-5

    18. Ncgc00096059-01

    19. Dsstox_cid_26017

    20. Dsstox_rid_81292

    21. Dsstox_gsid_46017

    22. 58997-91-4

    23. Cerekinon

    24. Dromostat

    25. Trimedat

    26. Ibutin

    27. Mls001401430

    28. Digerent Polifarma

    29. (z)-but-2-enedioic Acid;[2-(dimethylamino)-2-phenylbutyl] 3,4,5-trimethoxybenzoate

    30. Smr000653473

    31. Cas-34140-59-5

    32. Smr000471622

    33. Tm 906

    34. Unii-2a051gm4ym

    35. Trimebutinemaleate

    36. Cerekinon (tn)

    37. Einecs 251-845-9

    38. Einecs 261-549-1

    39. Einecs 261-550-7

    40. Opera_id_1549

    41. Unii-dkm38hxx5a

    42. Unii-h4xzj9gx7t

    43. Schembl67225

    44. Trimebutine Maleate (jp17)

    45. Mls001076527

    46. Mls001333691

    47. Spectrum1505011

    48. Chembl1325297

    49. Dtxsid5046017

    50. Trimebutine Maleate [mi]

    51. Chebi:32261

    52. Hy-b0380a

    53. Trimebutine For System Suitability

    54. Hms2051k18

    55. Hms2231d14

    56. Hms2232k06

    57. Hms2236j08

    58. Hms3886o08

    59. Pharmakon1600-01505011

    60. Trimebutine Maleate [mart.]

    61. Tox21_111554

    62. 2-(dimethylamino)-2-phenylbutyl 3,4,5-trimethoxybenzoate, Maleate

    63. Mfcd00133874

    64. Nsc758900

    65. S5507

    66. Trimebutine Maleate [who-dd]

    67. (-)-2-(dimethylamino)-2-phenylbutyl 3,4,5-trimethoxybenzoate, Maleate

    68. Akos015963753

    69. Tox21_111554_1

    70. Ccg-100892

    71. Ccg-213940

    72. Cs-4235

    73. Ks-1316

    74. Nc00142

    75. Nsc 758900

    76. Ncgc00018269-05

    77. Ac-18005

    78. Trimebutine Maleate [ep Monograph]

    79. Trimebutine Maleate Salt, Analytical Standard

    80. D01500

    81. A822092

    82. Sr-01000003154

    83. Q-201885

    84. Sr-01000003154-5

    85. Q27254453

    86. Trimebutine Maleate, European Pharmacopoeia (ep) Reference Standard

    87. 2-dimethylamino-2-phenylbutyl 3,4,5-trimethoxybenzoate Hydrogen Maleate

    88. (1-ethyl-1-phenyl-2-(3,4,5-trimethoxybenzoyloxy)ethyl)dimethylammonium Hydrogen Maleate

    89. Benzoic Acid, 3,4,5-trimethoxy-, 2-(dimethylamino)-2-phenylbutyl Ester, (+)-, (2z)-2-butenedioate

    90. Benzoic Acid, 3,4,5-trimethoxy-, 2-(dimethylamino)-2-phenylbutyl Ester, (+)-, (z)-2-butenedioate

    91. Benzoic Acid, 3,4,5-trimethoxy-, 2-(dimethylamino)-2-phenylbutyl Ester, (-)-, (2z)-2-butenedioate

    92. Benzoic Acid, 3,4,5-trimethoxy-, 2-(dimethylamino)-2-phenylbutyl Ester, (-)-, (z)-2-butenedioate

    93. Benzoic Acid, 3,4,5-trimethoxy-, Beta-(dimethylamino)-beta-ethylphenethyl Ester, Maleate (1:1)

    2.4 Create Date
    2005-06-29
    3 Chemical and Physical Properties
    Molecular Weight 503.5 g/mol
    Molecular Formula C26H33NO9
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count12
    Exact Mass503.21553163 g/mol
    Monoisotopic Mass503.21553163 g/mol
    Topological Polar Surface Area132 Ų
    Heavy Atom Count36
    Formal Charge0
    Complexity585
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Gastrointestinal Agents

    Drugs used for their effects on the gastrointestinal system, as to control gastric acidity, regulate gastrointestinal motility and water flow, and improve digestion. (See all compounds classified as Gastrointestinal Agents.)

    Parasympatholytics

    Agents that inhibit the actions of the parasympathetic nervous system. The major group of drugs used therapeutically for this purpose is the MUSCARINIC ANTAGONISTS. (See all compounds classified as Parasympatholytics.)