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    Benzamidine

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    $ API Ref.Price (USD/KG) : 14Xls

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    2D Structure
    Also known as: Benzenecarboximidamide, 618-39-3, Benzimidamide, Phenylamidine, Nsc 243704, Benzamidine (protonated)
    Molecular Formula
    C7H8N2
    Molecular Weight
    120.15  g/mol
    InChI Key
    PXXJHWLDUBFPOL-UHFFFAOYSA-N
    FDA UNII
    KUE3ZY3J1F
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    benzenecarboximidamide
    2.1.2 InChI
    InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)
    2.1.3 InChI Key
    PXXJHWLDUBFPOL-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C=C1)C(=N)N
    2.2 Other Identifiers
    2.2.1 UNII
    KUE3ZY3J1F
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Benzamidine Hydrochloride

    2.3.2 Depositor-Supplied Synonyms

    1. Benzenecarboximidamide

    2. 618-39-3

    3. Benzimidamide

    4. Phenylamidine

    5. Nsc 243704

    6. Benzamidine (protonated)

    7. Kue3zy3j1f

    8. Chembl20936

    9. Chebi:41033

    10. Nsc-243704

    11. 123920-06-9

    12. Ben

    13. .beta.-allo-2-octulopyranose, 2,7-anhydro-1,4,8-trideoxy-5-o-(phenylmethyl)-

    14. Ccris 2952

    15. Einecs 210-546-3

    16. Unii-kue3zy3j1f

    17. 1bra

    18. 1oss

    19. 2ast

    20. Benzenecarboxamidine

    21. Mfcd00042826

    22. 1c5o

    23. 1c5p

    24. 1c5z

    25. 1ce5

    26. 1f5k

    27. 1h4w

    28. 1v2j

    29. 1v2l

    30. 1v2m

    31. 1v2s

    32. 1v2u

    33. 1v2v

    34. 2j9n

    35. Benzamidine;benzimidamide

    36. Lopac-b-6506

    37. Schembl9207

    38. Lopac0_000203

    39. Mls001066369

    40. Gtpl7566

    41. Dtxsid8045012

    42. Zinc36634

    43. 1j14

    44. 1j15

    45. 1j16

    46. 1w80

    47. Hms2233b11

    48. Hms3370l08

    49. Albb-021313

    50. Amy31187

    51. Bbl012141

    52. Bdbm50038002

    53. Nsc243704

    54. Stl163510

    55. Akos000201384

    56. Ab01943

    57. Bs-3750

    58. Ccg-204298

    59. Sdccgsbi-0050191.p002

    60. Ncgc00015160-01

    61. Ncgc00015160-02

    62. Ncgc00015160-03

    63. Ncgc00015160-04

    64. Ncgc00015160-05

    65. Ncgc00015160-07

    66. Ncgc00162090-01

    67. Smr000471900

    68. Db-031147

    69. Cs-0103011

    70. Ft-0694841

    71. J3.531.736h

    72. C01784

    73. Ab00691669-14

    74. A852076

    75. Ae-641/30119009

    76. Q-100255

    77. Q4890748

    78. 64f5c29d-34e7-4815-b5f3-cc94ea3d2cad

    79. F1905-7123

    80. [4-(diaminomethylene)-2,5-cyclohexadiene-1-ylidene]radical

    81. 125772-71-6

    2.4 Create Date
    2005-03-25
    3 Chemical and Physical Properties
    Molecular Weight 120.15 g/mol
    Molecular Formula C7H8N2
    XLogP30.7
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count1
    Exact Mass120.068748264 g/mol
    Monoisotopic Mass120.068748264 g/mol
    Topological Polar Surface Area49.9 Ų
    Heavy Atom Count9
    Formal Charge0
    Complexity104
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Serine Proteinase Inhibitors

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