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Chemistry

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Also known as: 496-67-3, Bromisovalum, Bromovalerylurea, Bromvalerylurea, 2-bromo-n-carbamoyl-3-methylbutanamide, Bromural

Molecular Formula

C₆H₁₁BrN₂O₂

Molecular Weight

223.07 g/mol

InChI Key

CMCCHHWTTBEZNM-UHFFFAOYSA-N

FDA UNII

469GW8R486

A sedative and mild hypnotic with potentially toxic effects.

1 2D Structure

Bromisoval

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-bromo-N-carbamoyl-3-methylbutanamide

2.1.2 InChI

InChI=1S/C6H11BrN2O2/c1-3(2)4(7)5(10)9-6(8)11/h3-4H,1-2H3,(H3,8,9,10,11)

2.1.3 InChI Key

CMCCHHWTTBEZNM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)C(C(=O)NC(=O)N)Br

2.2 Other Identifiers

2.2.1 UNII

469GW8R486

2.3 Synonyms

2.3.1 MeSH Synonyms

1. (alpha-bromoisovaleryl)urea

2. Bromisovalum

3. Bromoisovalerylurea

4. Bromovalcarbamide

5. Bromovalerylurea

6. Bromvaleton

7. Bromyl

8. Sedes A

2.3.2 Depositor-Supplied Synonyms

1. 496-67-3

2. Bromisovalum

3. Bromovalerylurea

4. Bromvalerylurea

5. 2-bromo-n-carbamoyl-3-methylbutanamide

6. Bromural

7. Bromaral

8. Bromvaletone

9. Brovarin

10. Calmotin

11. Dagrabromyl

12. Dibroluur

13. Dormigene

14. Uvaleral

15. Upiol

16. Bromcarbamide

17. Bromizoval

18. Bromocarbamide

19. Isobromyl

20. Alural

21. 1-(2-bromoisovaleryl)urea

22. Bromisovalerylurea

23. Bromovalerocarbamide

24. 2-bromo-3-methylbutyrylurea

25. Bromvaletonum

26. Bromoval

27. Bromoxil

28. Bromuvan

29. Bromvalurea

30. Brovalin

31. Brovalurea

32. Pivadorm

33. Pivadorn

34. Somnurol

35. Abroval

36. Alluval

37. Bromisoval [inn]

38. Butanamide, N-(aminocarbonyl)-2-bromo-3-methyl-

39. 2-monobromoisovalerylurea

40. 2-bromisovalerylmocovina

41. .alpha.-bromisovalerylurea

42. Brn 1773255

43. N-(aminocarbonyl)-2-bromo-3-methylbutanamide

44. Urea, (2-bromo-3-methylbutyryl)-

45. 66101-52-8

46. Chebi:77043

47. .alpha.-bromoisovaleric Acid Ureide

48. Bromisoval (inn)

49. 469gw8r486

50. Ncgc00160445-01

51. Ncgc00160445-02

52. Bromoisovalum

53. Dsstox_cid_20656

54. Dsstox_rid_79524

55. Bromvalerocarbamidum

56. Dsstox_gsid_40656

57. Monobromoisolvalerylurea

58. Bromyl

59. Alpha-bromoisovaleroylurea

60. Bromovaleroylurea

61. Bromisovalum [inn-latin]

62. (alpha-bromoisovaleryl)urea

63. Cas-496-67-3

64. Alpha-bromoisovaleric Acid Ureide

65. 2-bromisovalerylmocovina [czech]

66. Bromvalerylurea [jan]

67. Einecs 207-825-7

68. Alpha-bromo-beta-dimethylpropanoylurea

69. Bromovaluree

70. B.v.u.

71. (2-bromo-3-methylbutanoyl)urea

72. Unii-469gw8r486

73. Bromural (tn)

74. Brovarin (tn)

75. Bromisovalum [nf]

76. Monobromoisovalerylurea

77. Bromovalerylurea (tn)

78. 2-bromo-n-carbamoyl-3-methyl-butanamide

79. 2-bromo-isovaleryl Urea

80. (.+/-.)-bromisoval

81. Bromisovalum [mi]

82. Bromovalerylurea (jp17)

83. Ec-000.1515

84. Bromisoval [mart.]

85. (rs)-2-bromoisovalerylurea

86. Bromisoval [who-dd]

87. 3-03-00-00123 (beilstein Handbook Reference)

88. (.alpha.-bromoisovaleryl)urea

89. Bromovalerylurea [jan]

90. Schembl262870

91. (.alpha.-bromoisovaleroyl)urea

92. Chembl1515611

93. Dtxsid2040656

94. Hms3886m19

95. Bcp14648

96. Hy-b2113

97. Tox21_111815

98. Mfcd00047873

99. S5305

100. N-(2-bromo-3-methylbutanoyl)urea #

101. Akos001042611

102. Tox21_111815_1

103. Ccg-266743

104. Cs-7762

105. Db13370

106. Gs-3579

107. Ncgc00160445-04

108. Ac-32032

109. Db-071026

110. B2842

111. Ft-0623210

112. D01391

113. H10002

114. N-(2-bromo-3-methylbutanoyl)urea, Aldrichcpr

115. Ab01316119-02

116. .alpha.-bromo-.beta.-dimethylpropanoylurea

117. A827784

118. Q420899

119. Sr-01000040621

120. Q-200755

121. Sr-01000040621-1

122. (.alpha.-bromo-.beta.,.beta.-dimethylpropanoyl)urea

123. Bromisovalum; Bromovalerylurea; 2-bromo-n-carbamoyl-3-methyl-butanamide; 2-bromo-n-carbamoyl-3-methyl-butyramide; N-aminocarbonyl-2-bromo-3-methyl-butanamide

2.4 Create Date

2005-03-25

3 Chemical and Physical Properties

Molecular Formula	C₆H₁₁BrN₂O₂
Molecular Weight	223.07 g/mol
XLogP3	1.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	222.00039 g/mol
Monoisotopic Mass	222.00039 g/mol
Topological Polar Surface Area	72.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	170
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

Hypnotics and Sedatives

Drugs used to induce drowsiness or sleep or to reduce psychological excitement or anxiety. (See all compounds classified as Hypnotics and Sedatives.)

4.2 ATC Code

N - Nervous system

N05 - Psycholeptics

N05C - Hypnotics and sedatives

N05CM - Other hypnotics and sedatives

N05CM03 - Bromisoval

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