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Also known as: 24168-96-5, Travogyn, Fazol, Isoconazole (nitrate), Isoconazole nitrate [jan], Adestan g 100
Molecular Formula
C18H15Cl4N3O4
Molecular Weight
479.1  g/mol
InChI Key
NNGQLSIGRSTLLU-UHFFFAOYSA-N
FDA UNII
5AS8P3N30X

Isoconazole Nitrate
1 2D Structure

Isoconazole Nitrate

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-[2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl]imidazole;nitric acid
2.1.2 InChI
InChI=1S/C18H14Cl4N2O.HNO3/c19-12-4-5-13(17(22)8-12)18(9-24-7-6-23-11-24)25-10-14-15(20)2-1-3-16(14)21;2-1(3)4/h1-8,11,18H,9-10H2;(H,2,3,4)
2.1.3 InChI Key
NNGQLSIGRSTLLU-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=C(C(=C1)Cl)COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl.[N+](=O)(O)[O-]
2.2 Other Identifiers
2.2.1 UNII
5AS8P3N30X
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 1-(2,4-dichloro Beta-(2,6-dichlorobenzyloxy)phenethyl) Imidazole

2. Fazol

3. Gyno Icaden

4. Gyno-travogen

5. Icaden

6. Isoconazole

7. R15454

8. Travogyn

2.3.2 Depositor-Supplied Synonyms

1. 24168-96-5

2. Travogyn

3. Fazol

4. Isoconazole (nitrate)

5. Isoconazole Nitrate [jan]

6. Adestan G 100

7. R 15,454

8. 5as8p3n30x

9. 40036-10-0

10. 24168-96-5 (nitrate)

11. Travogen

12. Imidazole, 1-(2,4-dichloro-beta-((2,6-dichlorobenzyl)oxy)phenethyl)-, Mononitrate

13. Isoconazole Nitrate (jan)

14. 1-(2-(2,4-dichlorophenyl)-2-((2,6-dichlorophenyl)methoxy)ethyl)-1h-imidazole Mononitrate

15. 1-[2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl]-1h-imidazole Mononitrate

16. R-15454

17. Adestan G100

18. Gyno-travogen

19. 1-[2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl]-1h-imidazole; Nitric Acid

20. 1-[2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl]imidazole;nitric Acid

21. 1h-imidazole, 1-[2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl]-, Nitrate

22. 1-(2-((2,6-dichlorobenzyl)oxy)-2-(2,4-dichlorophenyl)ethyl)-1h-imidazole Nitrate

23. Einecs 246-051-4

24. Unii-5as8p3n30x

25. R-15,454

26. Adestan-g (tn)

27. 1-(2,4-dichloro-beta-(2,6-dichlorobenzyloxy)phenethyl)imidazole Nitrate

28. 1-(2-((2,6-dichlorobenzyl)oxy)-2-(2,4-dichlorophenyl)ethyl)imidazole Nitrate

29. 1h-imidazole, 1-(2-(2,4-dichlorophenyl)-2-((2,6-dichlorophenyl)methoxy)ethyl)-, Mononitrate

30. Schembl364401

31. Isoconazole Nitrate (travogen)

32. Isoconazole Nitrate [mi]

33. Dtxsid60946995

34. Hms3656a14

35. Hy-b1444

36. Isoconazole Nitrate [mart.]

37. Einecs 254-769-4

38. Isoconazole Nitrate [who-dd]

39. Mfcd01721647

40. S2534

41. Akos015895806

42. Ccg-269535

43. Cs-5151

44. Ks-1175

45. Isoconazole Nitrate [ep Impurity]

46. Isoconazole Nitrate [ep Monograph]

47. Ft-0654776

48. I0834

49. Sw196721-3

50. D01480

51. A817123

52. R 15454

53. J-015379

54. Q27261756

55. 1-[2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl]-imidazole Mononitrate

56. 1-[2-(2,6-dichlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl]imidazole Nitrate

2.4 Create Date
2005-06-24
3 Chemical and Physical Properties
Molecular Weight 479.1 g/mol
Molecular Formula C18H15Cl4N3O4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass478.978717 g/mol
Monoisotopic Mass476.981667 g/mol
Topological Polar Surface Area93.1 Ų
Heavy Atom Count29
Formal Charge0
Complexity431
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Antifungal Agents

Substances that destroy fungi by suppressing their ability to grow or reproduce. They differ from FUNGICIDES, INDUSTRIAL because they defend against fungi present in human or animal tissues. (See all compounds classified as Antifungal Agents.)


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03-Feb-2021
21-Oct-2024
KGS
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