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    Technical details about DSSTox_CID_3725, learn more about the structure, uses, toxicity, action, side effects and more

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    DSSTox_CID_3725

    APIs // Active Pharmaceutical Ingredients

    PRICE INFORMATION

    INTERMEDIATES

    MARKET PLACE

    ANALYTICAL SOLUTION(s)

    PharmaCompass

    Phyton is a World Leader in Plant Cell Fermentation Technology and Commercial Manufacturing.

    Athena Pharmaceutiques is a Partner of Choice for Drug Delivery & Life Cycle Management.

    2D Structure
    1. Also known as: 30751-05-4, Aplace, 3,4,5-trimethoxy-n-(3-piperidyl)benzamide, Benzamide, 3,4,5-trimethoxy-n-3-piperidinyl-, Ku-54, 99777-81-8
    Molecular Formula
    C15H22N2O4
    Molecular Weight
    294.35  g/mol
    InChI Key
    YSIITVVESCNIPR-UHFFFAOYSA-N
    FDA UNII
    W6QJX1Q00Z
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3,4,5-trimethoxy-N-piperidin-3-ylbenzamide
    2.1.2 InChI
    InChI=1S/C15H22N2O4/c1-19-12-7-10(8-13(20-2)14(12)21-3)15(18)17-11-5-4-6-16-9-11/h7-8,11,16H,4-6,9H2,1-3H3,(H,17,18)
    2.1.3 InChI Key
    YSIITVVESCNIPR-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=CC(=CC(=C1OC)OC)C(=O)NC2CCCNC2
    2.2 Other Identifiers
    2.2.1 UNII
    W6QJX1Q00Z
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 3-(3,4,5-trimethoxybenzamido)piperidine

    2. Ku 54

    3. Ku-54

    4. Troxipide Hydrochloride

    2.3.2 Depositor-Supplied Synonyms

    1. 30751-05-4

    2. Aplace

    3. 3,4,5-trimethoxy-n-(3-piperidyl)benzamide

    4. Benzamide, 3,4,5-trimethoxy-n-3-piperidinyl-

    5. Ku-54

    6. 99777-81-8

    7. 3,4,5-trimethoxy-n-piperidin-3-ylbenzamide

    8. W6qjx1q00z

    9. 3,4,5-trimethoxy-n-(piperidin-3-yl)benzamide

    10. Ncgc00183029-01

    11. Dsstox_cid_3725

    12. Dsstox_rid_77167

    13. Dsstox_gsid_23725

    14. Troxipidum [latin]

    15. Troxipida [spanish]

    16. Troxipidum

    17. Troxipida

    18. Troxipide [inn:jan]

    19. 3-(3,4,5-trimethoxybenzamido)piperidine

    20. Smr000466385

    21. Cas-30751-05-4

    22. Unii-w6qjx1q00z

    23. Brn 0493078

    24. Troxipide,(s)

    25. Aplace (tn)

    26. Troxipide [inn]

    27. Troxipide [jan]

    28. Troxipide [mi]

    29. Troxipide (jp17/inn)

    30. Troxipide [mart.]

    31. Troxipide [who-dd]

    32. (+-)-3,4,5-trimethoxy-n-3-piperidylbenzamide

    33. Benzamide, N-(3-piperidyl)-3,4,5-trimethoxy-

    34. 5-22-08-00030 (beilstein Handbook Reference)

    35. Mls000759522

    36. Mls001424037

    37. Schembl400623

    38. Amy597

    39. Ku54

    40. Chembl1566956

    41. Dtxsid2023725

    42. Schembl23045919

    43. Chebi:32271

    44. Hms2051a06

    45. Hms3393a06

    46. Hms3652m18

    47. Hms3715b22

    48. Bcp05229

    49. Hy-b0758

    50. Tox21_113383

    51. Mfcd00866876

    52. S4128

    53. Akos000152736

    54. Akos022185033

    55. Tox21_113383_1

    56. Ac-4719

    57. Bcp9000020

    58. Ccg-100839

    59. Ccg-221210

    60. Cs-5208

    61. Db13419

    62. Nc00089

    63. Ncgc00183029-02

    64. As-12264

    65. Bt166208

    66. Db-047896

    67. Ft-0630556

    68. Ft-0658522

    69. N-(3-piperidyl)-3,4,5-trimethoxybenzamide

    70. Sw197469-2

    71. T2909

    72. D01306

    73. F15012

    74. Ab00639980-04

    75. Ab00639980_07

    76. 3,4,5-tris(methyloxy)-n-piperidin-3-ylbenzamide

    77. 751t054

    78. A820606

    79. J-018108

    80. Q-100918

    81. Q4381806

    82. Troxipide 3,4,5-trimethoxy-n-(3-piperidyl)benzamide

    83. (+/-)-3,4,5-trimethoxy-n-3-piperidylbenzamide

    2.4 Create Date
    2005-03-25
    3 Chemical and Physical Properties
    Molecular Weight 294.35 g/mol
    Molecular Formula C15H22N2O4
    XLogP31.2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count5
    Exact Mass294.15795719 g/mol
    Monoisotopic Mass294.15795719 g/mol
    Topological Polar Surface Area68.8 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity326
    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 ATC Code

    A - Alimentary tract and metabolism

    A02 - Drugs for acid related disorders

    A02B - Drugs for peptic ulcer and gastro-oesophageal reflux disease (gord)

    A02BX - Other drugs for peptic ulcer and gastro-oesophageal reflux disease (gord)

    A02BX11 - Troxipide

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