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Chemistry

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Also known as: Nitroxynil, 1689-89-0, 4-hydroxy-3-iodo-5-nitrobenzonitrile, Dovenix, Benzonitrile, 4-hydroxy-3-iodo-5-nitro-, Nitroxinil [inn]
Molecular Formula
C7H3IN2O3
Molecular Weight
290.01  g/mol
InChI Key
SGKGVABHDAQAJO-UHFFFAOYSA-N
FDA UNII
9L0EXQ7125

Nitroxinil
Proposed anthelmintic for fasciola and liver fluke infestations.
1 2D Structure

Nitroxinil

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-hydroxy-3-iodo-5-nitrobenzonitrile
2.1.2 InChI
InChI=1S/C7H3IN2O3/c8-5-1-4(3-9)2-6(7(5)11)10(12)13/h1-2,11H
2.1.3 InChI Key
SGKGVABHDAQAJO-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=C(C=C(C(=C1[N+](=O)[O-])O)I)C#N
2.2 Other Identifiers
2.2.1 UNII
9L0EXQ7125
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Nitroxynil

2.3.2 Depositor-Supplied Synonyms

1. Nitroxynil

2. 1689-89-0

3. 4-hydroxy-3-iodo-5-nitrobenzonitrile

4. Dovenix

5. Benzonitrile, 4-hydroxy-3-iodo-5-nitro-

6. Nitroxinil [inn]

7. Deldrax

8. 4-hydroxy-3-iodo-5-nitro-benzonitrile

9. Mfcd00070776

10. 9l0exq7125

11. Nitroxinil (inn)

12. Nitroxinyl

13. Nitroxinilo

14. Nitroxinilum

15. 4-cyano-2-iodo-6-nitrophenol

16. Nitroxinilum [inn-latin]

17. Nitroxinilo [inn-spanish]

18. Ccris 5743

19. Nitroxinil [inn:ban]

20. Einecs 216-884-8

21. Brn 2213717

22. Unii-9l0exq7125

23. Deldrax (tn)

24. Nitroxynil [mi]

25. Nitroxinil [mart.]

26. Trodax [veterynary] (tn)

27. Mls006011503

28. Schembl166956

29. Zinc1823

30. Chembl2104730

31. Dtxsid9075117

32. Albb-028654

33. Bcp13892

34. Akos000276265

35. Ac-9329

36. Hy-w049875

37. Ks-1307

38. Smr000797772

39. Sy110145

40. Bb 0241976

41. Cs-0102838

42. Ft-0633772

43. En300-55806

44. D08278

45. Nitroxinil, Vetranal(tm), Analytical Standard

46. 689n890

47. A811045

48. Sr-01000944912

49. Q-201481

50. Q2680251

51. Sr-01000944912-1

52. Brd-k23850772-001-01-0

53. Z1250208635

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 290.01 g/mol
Molecular Formula C7H3IN2O3
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass289.91884 g/mol
Monoisotopic Mass289.91884 g/mol
Topological Polar Surface Area89.8 Ų
Heavy Atom Count13
Formal Charge0
Complexity256
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

Antiplatyhelmintic Agents

Agents used to treat cestode, trematode, or other flatworm infestations in man or animals. (See all compounds classified as Antiplatyhelmintic Agents.)


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05-Aug-2023
05-Aug-2023
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