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Tox21_300907

Tox21_300907

Synopsis, Chemistry

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Also known as: 103055-07-8, Fluphenacur, Lufenuron, (+)-, Lufenuron, (-)-, 1-(2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl)-3-(2,6-difluorobenzoyl)urea, 130841-26-8

Molecular Formula

C₁₇H₈Cl₂F₈N₂O₃

Molecular Weight

511.1 g/mol

InChI Key

PWPJGUXAGUPAHP-UHFFFAOYSA-N

FDA UNII

9CR45YMS74

Lufenuron is used in veterinary for the control of flea.

1 2D Structure

Tox21_300907

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]carbamoyl]-2,6-difluorobenzamide

2.1.2 InChI

InChI=1S/C17H8Cl2F8N2O3/c18-6-5-11(32-17(26,27)14(22)16(23,24)25)7(19)4-10(6)28-15(31)29-13(30)12-8(20)2-1-3-9(12)21/h1-5,14H,(H2,28,29,30,31)

2.1.3 InChI Key

PWPJGUXAGUPAHP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C=C2Cl)OC(C(C(F)(F)F)F)(F)F)Cl)F

2.2 Other Identifiers

2.2.1 UNII

9CR45YMS74

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Cga 184699

2. Cga-184699

3. Fluphenacur

4. Fluphenacur, Monosodium Salt

5. N-(2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenylaminocarbonyl)-2,6-difluorobenzamide

2.3.2 Depositor-Supplied Synonyms

1. 103055-07-8

2. Fluphenacur

3. Lufenuron, (+)-

4. Lufenuron, (-)-

5. 1-(2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl)-3-(2,6-difluorobenzoyl)urea

6. 130841-26-8

7. Cga-184699

8. Nsc-759097

9. N-((2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl)carbamoyl)-2,6-difluorobenzamide

10. N-[[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]carbamoyl]-2,6-difluorobenzamide

11. 9cr45yms74

12. 130841-22-4

13. Chebi:39384

14. N-{[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]carbamoyl}-2,6-difluorobenzamide

15. Benzamide, N-(((2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl)amino)carbonyl)-2,6-difluoro-, (+)-

16. Benzamide, N-(((2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl)amino)carbonyl)-2,6-difluoro-, (-)-

17. Ncgc00095978-02

18. 1r754m4918

19. 4629851k7q

20. Dsstox_cid_14357

21. Dsstox_rid_79146

22. Dsstox_gsid_34357

23. Benzamide, N-[[[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]amino]carbonyl]-2,6-difluoro-

24. N-({[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]amino}carbonyl)-2,6-difluorobenzamide

25. Lufenurone

26. Lufenuronum

27. Cigna

28. Match (pesticide)

29. 3-[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]-1-[(2,6-difluorophenyl)carbonyl]urea

30. Lufenuron;(rs)-1-[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy) Phenyl]-3-(2,6-difluorobenzoyl) Urea

31. N-(2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)-phenyl-aminocarbonyl)-2,6-difluorobenzamide

32. N-[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)-phenyl-aminocarbonyl]-2,6-difluorobenzamide

33. Program Flavor Tabs

34. Program

35. Cas-103055-07-8

36. Lufenuron [inn:ban]

37. Lufenurone [inn-french]

38. Lufenuronum [inn-latin]

39. Unii-1r754m4918

40. N-(((2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl)amino)carbonyl)-2,6-difluorobenzamide

41. Cga 184699

42. Lufenuron (usp/inn)

43. Lufenuron [inn]

44. Lufenuron [mi]

45. Lufenuron [mart.]

46. Ec 410-690-9

47. Lufenuron [usp-rs]

48. Program [veterinary] (tn)

49. Unii-9cr45yms74

50. Schembl27105

51. Bspbio_002424

52. Mls004712069

53. Spectrum1505355

54. Lufenuron [green Book]

55. Chembl1364906

56. Dtxsid5034357

57. Lufenuron [usp Monograph]

58. Hms3264n09

59. Pharmakon1600-01505355

60. Unii-4629851k7q

61. Sentinel Component Lufenuron

62. Bcp15961

63. Tox21_111542

64. Tox21_300907

65. Mfcd00867616

66. Nsc759097

67. Lufenuron 100 Microg/ml In Methanol

68. Akos022185021

69. Lufenuron Component Of Sentinel

70. Tox21_111542_1

71. Ccg-213976

72. Db11424

73. Nsc 759097

74. N-[[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]carbamoyl]-2,6-difluoro-benzamide

75. Lufenuron 100 Microg/ml In Acetonitrile

76. Ncgc00095978-01

77. Ncgc00095978-03

78. Ncgc00095978-04

79. Ncgc00095978-06

80. Ncgc00254811-01

81. As-13363

82. Smr001563631

83. Lufenuron 1000 Microg/ml In Acetonitrile

84. Sbi-0207025.p001

85. Db-040412

86. Hy-115584

87. Cs-0088780

88. Ft-0631021

89. L0358

90. Lufenuron, Pestanal(r), Analytical Standard

91. C18434

92. D08150

93. E78989

94. Ab01563233_01

95. Lufenuron (anhydrous) For Veterinary Use

96. 055l078

97. A800670

98. Q412933

99. Sr-01000872762

100. J-521659

101. Sr-01000872762-1

102. Brd-a71774530-001-01-8

103. Brd-a71774530-001-02-6

104. Lufenuron, European Pharmacopoeia (ep) Reference Standard

105. Lufenuron (anhydrous) For Veterinary Use [ep Impurity]

106. Lufenuron, United States Pharmacopeia (usp) Reference Standard

107. Lufenuron For Peak Identification, European Pharmacopoeia (ep) Reference Standard

108. N-(2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenylcarbamoyl)-2,6-difluorobenzamide

109. N-[[2,5-dichloro-4-(1,1,3,4,4,4-hexafluorobutyl)phenyl]carbamoyl]-2,6-difluoro-benzamide

110. (+)-n-(((2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl)amino)carbonyl)-2,6-difluorobenzamide

111. (-)-n-(((2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl)amino)carbonyl)-2,6-difluorobenzamide

112. (rs)-1-(2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl)-3-(2,6-difluorobenzoyl)urea

113. 1-(2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl)-3-(2,6-difluorobenzoyl)-urea

114. Benzamide,n-[[[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]amino]carbonyl]-2,6-difluoro-

2.4 Create Date

2005-08-01

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₈Cl₂F₈N₂O₃
Molecular Weight	511.1 g/mol
XLogP3	6.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	5
Exact Mass	509.9784228 g/mol
Monoisotopic Mass	509.9784228 g/mol
Topological Polar Surface Area	67.4 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	677
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Insecticides

Pesticides designed to control insects that are harmful to man. The insects may be directly harmful, as those acting as disease vectors, or indirectly harmful, as destroyers of crops, food products, or textile fabrics. (See all compounds classified as Insecticides.)

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