Prestwick3_000555

Synopsis, Chemistry

APIs // Active Pharmaceutical Ingredients

4 API Suppliers, 2 CEP/COS, 1 EU WC, 2 Listed Suppliers

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Also known as: 965-52-6, Nifuroxazid, Dicoferin, Diarlidan, Nsc-759261, Pm5li0p38j

Molecular Formula

C₁₂H₉N₃O₅

Molecular Weight

275.22 g/mol

InChI Key

YCWSUKQGVSGXJO-NTUHNPAUSA-N

FDA UNII

PM5LI0P38J

1 2D Structure

Prestwick3_000555

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide

2.1.2 InChI

InChI=1S/C12H9N3O5/c16-9-3-1-8(2-4-9)12(17)14-13-7-10-5-6-11(20-10)15(18)19/h1-7,16H,(H,14,17)/b13-7+

2.1.3 InChI Key

YCWSUKQGVSGXJO-NTUHNPAUSA-N

2.1.4 Canonical SMILES

C1=CC(=CC=C1C(=O)NN=CC2=CC=C(O2)[N+](=O)[O-])O

2.1.5 Isomeric SMILES

C1=CC(=CC=C1C(=O)N/N=C/C2=CC=C(O2)[N+](=O)[O-])O

2.2 Other Identifiers

2.2.1 UNII

PM5LI0P38J

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Akabar

2. Bifix

3. Ediston

4. Ercefuryl

5. Eskapar

6. Nifuroxazide-ratiopharm

7. P-hydroxybenzoic Acid (5-nitrofurfurylidene)hydrazide

8. Panfurex

9. Pentofuryl

10. Septidiaryl

2.3.2 Depositor-Supplied Synonyms

1. 965-52-6

2. Nifuroxazid

3. Dicoferin

4. Diarlidan

5. Nsc-759261

6. Pm5li0p38j

7. Rc-27109

8. Mls000069620

9. Ercefuryl

10. 4-hydroxy-n-[(e)-(5-nitrofuran-2-yl)methylideneamino]benzamide

11. P-hydroxybenzoic Acid 5-nitrofurfurylidene Hydrazide

12. Nifuroxazide (inn)

13. Nifuroxazida

14. Nifuroxazidum

15. 4-hydroxy-n'-((5-nitrofuran-2-yl)methylene)benzohydrazide

16. 4-hydroxy-n-[(e)-(5-nitro-2-furyl)methyleneamino]benzamide

17. Ercefurol

18. Smr000058185

19. Nifuroxazide [inn]

20. Sj000287313

21. Benzoic Acid, 4-hydroxy-, 2-[(5-nitro-2-furanyl)methylene]hydrazide

22. Nifuroxazidum [inn-latin]

23. Nifuroxazida [inn-spanish]

24. Ccris 5490

25. Rc 27109

26. P-hydroxybenzoic Acid (5-nitrofurfurylidene)hydrazide

27. R.c. 27-109

28. Einecs 213-522-0

29. Unii-pm5li0p38j

30. Brn 1352180

31. Diaryl

32. Nifuroxazide [inn:ban:dcf]

33. Mfcd00079482

34. 4-hydroxy-n'-(5-nitrofurfuryliden)benzhydrazid

35. 5-nitro-2-furaldehyde P-hydroxybenzoylhydrazone

36. Prestwick_874

37. (nitro-5' Furfurylidene-2') Hydroxy-4 Benzhydrazide

38. Opera_id_40

39. (nitro-5' Furfurylidene-2') Hydroxy-4 Benzhydrazide [french]

40. Benzoic Acid, P-hydroxy-, (5-nitrofurfurylidene)hydrazide

41. Prestwick2_000555

42. Prestwick3_000555

43. Bspbio_000629

44. Nifuroxazide [mart.]

45. Nifuroxazide [who-dd]

46. Schembl542542

47. Schembl543480

48. Bpbio1_000693

49. Chembl244888

50. Schembl14608895

51. Chebi:94556

52. Chebi:135136

53. Hms1569p11

54. Hms2096p11

55. Hms3713p11

56. Nifuroxazide [ep Impurity]

57. Pharmakon1600-01505788

58. Nifuroxazide [ep Monograph]

59. Hy-b1436

60. Zinc7997719

61. Bdbm50396177

62. Nsc759261

63. S4182

64. Stk091243

65. Stl454990

66. Akos000483758

67. Ac-8713

68. Ccg-213989

69. Cs-4918

70. Db13855

71. Nsc 759261

72. As-13310

73. Bim-0014420.p001

74. Sbi-0014420.p002

75. Ab00513861

76. D07111

77. Ab00513861_02

78. Ab00513861_03

79. Nifuroxazide, Vetranal(tm), Analytical Standard

80. 965n526

81. A845610

82. W-100139

83. Brd-k68188368-001-03-7

84. 4-dydroxy-n-[(e)-(5-nitro-2-furyl)methyleneamino]benzamide

85. 4-hydroxy-n'-[(1e)-(5-nitro-2-furyl)methylene]benzohydrazide

86. Nifuroxazide, European Pharmacopoeia (ep) Reference Standard

87. 4-hydroxy-n'-[(e)-(5-nitrofuran-2-yl)methylidene]benzohydrazide

88. 4-hydroxy-n-[(e)-(5-nitrofuran-2-yl)methylidene]benzenecarbohydrazonic Acid

89. Benzoic Acid, 4-hydroxy-, [(1e)-(5-nitro-2-furanyl)methylene]hydrazide

2.4 Create Date

2006-02-02

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₉N₃O₅
Molecular Weight	275.22 g/mol
XLogP3	2.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	275.05422040 g/mol
Monoisotopic Mass	275.05422040 g/mol
Topological Polar Surface Area	121 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	387
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Anti-Infective Agents

Substances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection. (See all compounds classified as Anti-Infective Agents.)

4.2 ATC Code

A - Alimentary tract and metabolism

A07 - Antidiarrheals, intestinal antiinflammatory/antiinfective agents

A07A - Intestinal antiinfectives

A07AX - Other intestinal antiinfectives

A07AX03 - Nifuroxazide