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    Gabexate Mesylate

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

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    2D Structure
    Also known as: 56974-61-9, Gabexate mesilate, Gabexate (mesylate), Foy, Gabexate methanesulfonate, 56974-61-9 (mesylate)
    Molecular Formula
    C17H27N3O7S
    Molecular Weight
    417.5  g/mol
    InChI Key
    DNTNDFLIKUKKOC-UHFFFAOYSA-N
    FDA UNII
    E3Q07L0649
    A serine proteinase inhibitor used therapeutically in the treatment of pancreatitis, disseminated intravascular coagulation (DIC), and as a regional anticoagulant for hemodialysis. The drug inhibits the hydrolytic effects of thrombin, plasmin, and kallikrein, but not of chymotrypsin and aprotinin.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    ethyl 4-[6-(diaminomethylideneamino)hexanoyloxy]benzoate;methanesulfonic acid
    2.1.2 InChI
    InChI=1S/C16H23N3O4.CH4O3S/c1-2-22-15(21)12-7-9-13(10-8-12)23-14(20)6-4-3-5-11-19-16(17)18;1-5(2,3)4/h7-10H,2-6,11H2,1H3,(H4,17,18,19);1H3,(H,2,3,4)
    2.1.3 InChI Key
    DNTNDFLIKUKKOC-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC(=O)C1=CC=C(C=C1)OC(=O)CCCCCN=C(N)N.CS(=O)(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    E3Q07L0649
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Foy

    2. Gabexate

    3. Gabexate Mesilate

    4. Gabexate Methanesulfonate

    5. Gabexate Monomethanesulfonate

    6. Gabexate Monomethanesulfonate, 14c Labeled Cpd

    7. Gabexate Monomethanesulfonate, 14c-labeled Cpd

    8. Mesilate, Gabexate

    9. Mesylate, Gabexate

    10. Methanesulfonate, Gabexate

    11. Monomethanesulfonate, Gabexate

    2.3.2 Depositor-Supplied Synonyms

    1. 56974-61-9

    2. Gabexate Mesilate

    3. Gabexate (mesylate)

    4. Foy

    5. Gabexate Methanesulfonate

    6. 56974-61-9 (mesylate)

    7. Gabexate Mesilate [jan]

    8. Chembl1398351

    9. Ncgc00017121-01

    10. Ethyl 4-((6-guanidinohexanoyl)oxy)benzoate Methanesulfonate

    11. Cas-56974-61-9

    12. 4-[[6-[(aminoiminomethyl)amino]-1-oxohexyl]oxy]-benzoic Acid Ethyl Ester Mesylate

    13. Dsstox_cid_25591

    14. Dsstox_rid_80986

    15. Dsstox_gsid_45591

    16. 4-[[6-[(aminoiminomethyl)amino]-1-oxohexyl]oxy]benzoic Acid Ethyl Ester Mesylate

    17. Smr000058918

    18. E3q07l0649

    19. Sr-01000597763

    20. Arodate (tn)

    21. Mfcd00210299

    22. Gabexatemesylate

    23. Cpd000058918

    24. Gabexate Mesilate (jp17)

    25. Mls001401400

    26. Mls002222309

    27. Mls006010132

    28. Schembl317799

    29. Dtxsid0045591

    30. Chebi:31641

    31. Hms1571i17

    32. Hms2051a22

    33. Hms2098i17

    34. Hms2230m20

    35. Hms3268g12

    36. Hms3370j02

    37. Hms3393a22

    38. Hms3412h16

    39. Hms3655f19

    40. Hms3676h16

    41. Hms3715i17

    42. Gabexate Mesilate [who-dd]

    43. Amy39644

    44. Bcp13557

    45. Hy-b0385

    46. Tox21_110789

    47. Ac-467

    48. Bdbm50288832

    49. Gabexate Methanesulfonate [mi]

    50. Akos015889904

    51. Akos025402087

    52. Tox21_110789_1

    53. Ccg-100903

    54. Ccg-221008

    55. Ks-1203

    56. Nc00153

    57. Ncgc00025297-04

    58. Smr002530330

    59. Db-052993

    60. Ft-0630694

    61. G0464

    62. Sw197284-3

    63. C75670

    64. D01672

    65. 492g018

    66. A831268

    67. Sr-01000597763-1

    68. Sr-01000597763-2

    69. Q27276838

    70. 56974-61-9 39492-01-8(base)

    71. Ethyl 4-(6-guanidinohexanoyloxy)benzoate Methanesulfonate

    72. Gabexate Mesylate, Analytical Standard, For Drug Analysis

    73. 4-[6-(diaminomethylideneamino)-1-oxohexoxy]benzoic Acid Ethyl Ester; Methanesulfonic Acid

    74. Ethyl 4-[6-(diaminomethylideneamino)hexanoyloxy]benzoate;methanesulfonic Acid

    75. Ethyl 4-[6-[bis(azanyl)methylideneamino]hexanoyloxy]benzoate; Methanesulfonic Acid

    76. Benzoic Acid, 4-((6-((aminoiminomethyl)amino)-1-oxohexyl)oxy)-, Ethyl Ester, Methanesulfonate (1:1)

    77. Benzoic Acid, 4-[[6-[(aminoiminomethyl)amino]-1-oxohexyl]oxy]-, Ethylester, Monomethanesulfonate

    2.4 Create Date
    2006-05-30
    3 Chemical and Physical Properties
    Molecular Weight 417.5 g/mol
    Molecular Formula C17H27N3O7S
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count11
    Exact Mass417.15697138 g/mol
    Monoisotopic Mass417.15697138 g/mol
    Topological Polar Surface Area180 Ų
    Heavy Atom Count28
    Formal Charge0
    Complexity493
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Anticoagulants

    Agents that prevent BLOOD CLOTTING. (See all compounds classified as Anticoagulants.)

    Serine Proteinase Inhibitors

    Exogenous or endogenous compounds which inhibit SERINE ENDOPEPTIDASES. (See all compounds classified as Serine Proteinase Inhibitors.)