DSSTox_CID_31584

Synopsis, Chemistry

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Also known as: 6506-37-2, Naxogin, Nitrimidazine, Nimorazol, Nulogyl, Esclama

Molecular Formula

C₉H₁₄N₄O₃

Molecular Weight

226.23 g/mol

InChI Key

MDJFHRLTPRPZLY-UHFFFAOYSA-N

FDA UNII

469ULX0H4G

An antitrichomonal agent which is effective either topically or orally and whose urinary metabolites are also trichomonicidal.

1 2D Structure

DSSTox_CID_31584

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-[2-(5-nitroimidazol-1-yl)ethyl]morpholine

2.1.2 InChI

InChI=1S/C9H14N4O3/c14-13(15)9-7-10-8-12(9)2-1-11-3-5-16-6-4-11/h7-8H,1-6H2

2.1.3 InChI Key

MDJFHRLTPRPZLY-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1COCCN1CCN2C=NC=C2[N+](=O)[O-]

2.2 Other Identifiers

2.2.1 UNII

469ULX0H4G

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Esclama

2. K 1900

3. K-1900

4. K1900

5. Naxogin

6. Nitrimidazine

7. Nulogyl

2.3.2 Depositor-Supplied Synonyms

1. 6506-37-2

2. Naxogin

3. Nitrimidazine

4. Nimorazol

5. Nulogyl

6. Esclama

7. Naxofem

8. 4-(2-(5-nitro-1h-imidazol-1-yl)ethyl)morpholine

9. Acterol

10. Acterol Forte

11. 4-[2-(5-nitroimidazol-1-yl)ethyl]morpholine

12. Nimorazolo

13. Sirledi

14. K-1900

15. N-2-morpholinoethyl-5-nitroimidazole

16. 1-(2-n-morpholinylethyl)-5-nitroimidazole

17. Morpholine, 4-[2-(5-nitro-1h-imidazol-1-yl)ethyl]-

18. Nsc 107524

19. 4-(2-(5-nitroimidazol-1-yl)ethyl)morpholine

20. Nsc-107524

21. 4-[2-(5-nitro-1h-imidazol-1-yl)ethyl]morpholine

22. Morpholine, 4-(2-(5-nitro-1h-imidazol-1-yl)ethyl)-

23. Mls002703984

24. 469ulx0h4g

25. Morpholine, 4-(2-(5-nitroimidazol-1-yl)ethyl)-

26. Nimorazole (inn)

27. Nimorazolum

28. Nimorazole [inn]

29. 1-(.beta.-morpholinoethyl)-5-nitroimidazole

30. Morpholine, 4-[2-(5-nitroimidazol-1-yl)ethyl]-

31. Nimorazolo [dcit]

32. Nimorazol [inn-spanish]

33. Nimorazolum [inn-latin]

34. K 1900

35. 1-(beta-morpholinoethyl)-5-nitroimidazole

36. 1-(n-p-ethylmorpholine)-5-nitroimidazole

37. Nimorazole [inn:ban]

38. Einecs 229-394-4

39. 4-(2-(5-nitroimidazol-1-yl)ethyl)-morpholine

40. Brn 0533758

41. Unii-469ulx0h4g

42. Naxogin (tn)

43. Nimorazole [mi]

44. Nimorazole [mart.]

45. Dsstox_cid_31584

46. Dsstox_rid_97468

47. Nimorazole [who-dd]

48. Dsstox_gsid_57795

49. Schembl21836

50. Chembl435966

51. Dtxsid1057795

52. Chebi:134929

53. Bcp11055

54. Tox21_113897

55. Mfcd00866796

56. Nsc107524

57. S6411

58. Zinc26167988

59. Akos022174968

60. Db12172

61. Ncgc00261977-01

62. Ac-35227

63. Am807557

64. As-31120

65. Da-21636

66. Hy-16349

67. Smr001570693

68. Cas-6506-37-2

69. Wln: T6n Dotj A2- At5n Cnj Enw

70. Ft-0710009

71. A13091

72. D07352

73. 506n372

74. A834961

75. Q7037737

76. 4-[2-(5-nitro-1h-imidazol-1-yl)ethyl]morpholine #

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₄N₄O₃
Molecular Weight	226.23 g/mol
XLogP3	-0.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	226.10659032 g/mol
Monoisotopic Mass	226.10659032 g/mol
Topological Polar Surface Area	76.1 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	239
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1