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

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2D Structure
1. 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.)


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