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    Chemistry

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    Also known as: 75507-68-5, Katadolon, Flupirtine maleate salt, Flupirtine (maleate), Flupirtine maleate [usan], D-9998
    Molecular Formula
    C19H21FN4O6
    Molecular Weight
    420.4  g/mol
    InChI Key
    DPYIXBFZUMCMJM-BTJKTKAUSA-N
    FDA UNII
    0VCI53PK4A
    Flupirtine
    1 2D Structure

    Flupirtine

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (Z)-but-2-enedioic acid;ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]pyridin-3-yl]carbamate
    2.1.2 InChI
    InChI=1S/C15H17FN4O2.C4H4O4/c1-2-22-15(21)19-12-7-8-13(20-14(12)17)18-9-10-3-5-11(16)6-4-10;5-3(6)1-2-4(7)8/h3-8H,2,9H2,1H3,(H,19,21)(H3,17,18,20);1-2H,(H,5,6)(H,7,8)/b;2-1-
    2.1.3 InChI Key
    DPYIXBFZUMCMJM-BTJKTKAUSA-N
    2.1.4 Canonical SMILES
    CCOC(=O)NC1=C(N=C(C=C1)NCC2=CC=C(C=C2)F)N.C(=CC(=O)O)C(=O)O
    2.1.5 Isomeric SMILES
    CCOC(=O)NC1=C(N=C(C=C1)NCC2=CC=C(C=C2)F)N.C(=C\C(=O)O)\C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    0VCI53PK4A
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. D 9998

    2. D-9998

    3. Ethyl 2-amino-6-((p-fluorobenzyl)amino)-3-pyridinecarbamate

    4. Flupirtin Maleate

    5. Flupirtine

    6. Flupirtine Maleate (1:1)

    7. Katadolon

    2.3.2 Depositor-Supplied Synonyms

    1. 75507-68-5

    2. Katadolon

    3. Flupirtine Maleate Salt

    4. Flupirtine (maleate)

    5. Flupirtine Maleate [usan]

    6. D-9998

    7. 75507-68-5 (maleate).

    8. W-2964m

    9. 0vci53pk4a

    10. Ethyl (2-amino-6-((4-fluorobenzyl)amino)pyridin-3-yl)carbamate Maleate

    11. Ethyl 2-amino-6-((p-fluorobenzyl)amino)-3-pyridinecarbamate Maleate (1:1)

    12. Ncgc00093935-01

    13. Flupirtine Maleate (usan)

    14. Dsstox_cid_25771

    15. Dsstox_rid_81113

    16. Dsstox_gsid_45771

    17. Carbamic Acid, (2-amino-6-(((4-fluorophenyl)methyl)amino)-3-pyridinyl)-, Ethyl Ester, (z)-2-butenedioate (1:1)

    18. D 9998

    19. Flupirtin-maleat

    20. Flupirtin-maleat [german]

    21. (z)-but-2-enedioic Acid;ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]pyridin-3-yl]carbamate

    22. Cas-75507-68-5

    23. W 2964m

    24. Ncgc00015451-03

    25. Einecs 278-225-0

    26. Unii-0vci53pk4a

    27. Flupirtinmaleat

    28. Effirma

    29. Flupirtinemaleate

    30. Katadolon Maleate

    31. Flupirtinte Maleate

    32. Carbamic Acid, [2-amino-6-[[(4-fluorophenyl)methyl]amino]-3-pyridinyl]-, Ethyl Ester, (z)-2-butenedioate (1:1)

    33. Flupirtine Maleate- Bio-x

    34. 2-amino-3-(ethoxycarbonylamino)-6-(4-fluorobenzylamino)pyridine Maleate Salt

    35. Ethyl-n-(2-amino-6-(4-fluorophenylmethylamino)pyridin-3-yl)carbamate Maleate

    36. (2-amino-6-(((4-fluorophenyl)methyl)amino)-3-pyridinyl)carbamic Acid Ethyl Ester Maleate

    37. Ethyl-n-(2-amino-6-(4-fluor-phenylmethylamino)pyridin-3-yl)carbamat Maleat [german]

    38. Schembl124707

    39. Flupirtine Maleate [mi]

    40. Chembl1256752

    41. Dtxsid8045771

    42. Flupirtine Maleate [vandf]

    43. Hms3261n15

    44. Flupirtine Maleate [mart.]

    45. Flupirtinte Maleate [vandf]

    46. Diethyl4-fluorophenylmalonate

    47. Flupirtine Maleate [who-dd]

    48. Tox21_111232

    49. Tox21_113397

    50. Tox21_500547

    51. Ac-454

    52. Mfcd00941415

    53. Akos024286722

    54. Ethyl-n-(2-amino-6-(4-fluor-phenylmethylamino)pyridin-3-yl)carbamat Maleat

    55. Tox21_111232_1

    56. Bcp9000699

    57. Ccg-221851

    58. Cs-0573

    59. Lp00547

    60. [2-amino-6-(4-fluoro-benzylamino)-pyridin-3-yl]-carbamic Acid Ethyl Ester Maleate

    61. Ethyl 2-amino-6-((4-fluorobenzyl)amino)pyridine-3-carbamate, Compound With Maleic Acid (1:1)

    62. Ncgc00015451-05

    63. Ncgc00093935-02

    64. Ncgc00261232-01

    65. 133ap001

    66. Bf164473

    67. Hy-17001

    68. Flupirtine Maleate Salt, >=98% (hplc)

    69. Eu-0100547

    70. F0736

    71. D04226

    72. F 8927

    73. 507f685

    74. A838439

    75. Sr-01000075887

    76. Q-101869

    77. Sr-01000075887-1

    78. Q27231153

    79. 2-amino-6-[[(4-fluorophenyl)methyl]amino]-3-pyridinyl]-carbamic Acid, Ethyl Ester Maleate

    80. N-[2-amino-6-[[4-fluorophenyl)methyl]amino]-3-pyridinyl]carbamic Acid Ethyl Ester Maleate

    81. (z)-but-2-enedioic Acid; Ethyl N-[2-azanyl-6-[(4-fluorophenyl)methylamino]pyridin-3-yl]carbamate

    82. N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamic Acid Ethyl Ester; (z)-2-butenedioic Acid

    2.4 Create Date
    2006-04-28
    3 Chemical and Physical Properties
    Molecular Weight 420.4 g/mol
    Molecular Formula C19H21FN4O6
    Hydrogen Bond Donor Count5
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count8
    Exact Mass420.14451256 g/mol
    Monoisotopic Mass420.14451256 g/mol
    Topological Polar Surface Area164 Ų
    Heavy Atom Count30
    Formal Charge0
    Complexity469
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Analgesics

    Compounds capable of relieving pain without the loss of CONSCIOUSNESS. (See all compounds classified as Analgesics.)

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