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Tox21_202781

Tox21_202781

Synopsis, Chemistry

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Also known as: 139-05-9, Sodium n-cyclohexylsulfamate, Sodium cyclohexylsulfamate, Sucaryl sodium, Cyclamic acid sodium salt, Asugryn

Molecular Formula

C₆H₁₂NNaO₃S

Molecular Weight

201.22 g/mol

InChI Key

UDIPTWFVPPPURJ-UHFFFAOYSA-M

FDA UNII

1I6F42RME1

Salts and esters of cyclamic acid.

1 2D Structure

Tox21_202781

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

sodium;N-cyclohexylsulfamate

2.1.2 InChI

InChI=1S/C6H13NO3S.Na/c8-11(9,10)7-6-4-2-1-3-5-6;/h6-7H,1-5H2,(H,8,9,10);/q;+1/p-1

2.1.3 InChI Key

UDIPTWFVPPPURJ-UHFFFAOYSA-M

2.1.4 Canonical SMILES

C1CCC(CC1)NS(=O)(=O)[O-].[Na+]

2.2 Other Identifiers

2.2.1 UNII

1I6F42RME1

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Calcium Cyclamate

2. Cyclamate

3. Cyclamate Calcium (2:1) Salt

4. Cyclamate, Calcium

5. Cyclamate, Calcium (2:1) Salt, Dihydrate

6. Cyclamate, Potassium

7. Cyclamate, Sodium

8. Cyclamate, Sodium Salt

9. Cyclamates

10. Cyclamic Acid

11. Potassium Cyclamate

2.3.2 Depositor-Supplied Synonyms

1. 139-05-9

2. Sodium N-cyclohexylsulfamate

3. Sodium Cyclohexylsulfamate

4. Sucaryl Sodium

5. Cyclamic Acid Sodium Salt

6. Asugryn

7. Sodium Cyclohexanesulfamate

8. Cyclamate Sodium

9. Sulfamic Acid, Cyclohexyl-, Monosodium Salt

10. Cyclamate, Sodium

11. Assugrin

12. Ibiosuc

13. Suessette

14. Suestamin

15. Sugarin

16. Sugaron

17. Sodium Sucaryl

18. Dulzor-etas

19. Hachi-sugar

20. Sucrum 7

21. Sodium;n-cyclohexylsulfamate

22. Cyclamate, Sodium Salt

23. Natriumzyklamate

24. Cyclohexylsulfamate Sodium

25. Chebi:82431

26. Cyclamate Sodium/ Saccharin Sodium

27. Cyclamic Acid (sodium)

28. 1i6f42rme1

29. 61373-78-2

30. N-cyclohexylsulfamic Acid Sodium

31. Cyclohexanesulfamic Acid, Sodium Salt

32. Cyclohexanesulfamic Acid, Monosodium Salt

33. E952

34. Natrii Cyclamas

35. Sodium Cyclamate (inn)

36. Ciclamato Sodico

37. Assurgrin Feinsuss

38. Assurgrin Vollsuss

39. Natrium Cyclamicum

40. Cyclamate De Sodium

41. Sodium Cyclamate [inn]

42. Natrium Cyclohexylsulfamat

43. Natriumzyklamate [german]

44. Ciclamato Sodico [dcit]

45. Cyclohexylsulphamate Sodium

46. Natriumcyclohexylamidosulfat

47. Sodium Cyclohexyl Sulfamate

48. Sodium Cyclohexanesulphamate

49. Natraiumcyclohexylamidosulfat

50. Sodium Cyclohexyl Sulphamate

51. Sodium Cyclohexylsulphamidate

52. Monosodium Cyclohexylsulfamate

53. Ccris 187

54. Natrii Cyclamas [inn-latin]

55. Sodium Cyclohexyl Amidosulphate

56. Nsc-42195

57. Cyclamate De Sodium [inn-french]

58. N-cyklohexylsulfamat Sodny [czech]

59. Cyclohexylsulfamic Acid, Sodium Salt

60. Einecs 205-348-9

61. N-cyklohexylsulfamat Sodny

62. Nsc 42195

63. Sodiumcyclamate

64. Unii-1i6f42rme1

65. Cyclohexylsulphamic Acid, Monosodium Salt

66. Cyclohexanesulphamic Acid, Monosodium Salt

67. Ai3-24213

68. Sulfamic Acid, Cylclohexyl-, Monosodium Salt

69. Sodium Cyclamate [inn:ban:nf]

70. Cyclamic Acid Sodium

71. N-cyclohexylsulfamic Acid Sodium Salt

72. Dsstox_cid_355

73. Dsstox_rid_75534

74. Dsstox_gsid_20355

75. Schembl66221

76. Sodium N-cyclohexanesulfamate

77. Mls004773942

78. Sodium Cyclamate [ii]

79. Chembl273977

80. Sodium Cyclamate [iarc]

81. Sodium Cyclamate [inci]

82. Dtxsid6020355

83. Ins No. 952(iv)

84. Sodium(sulfonatoamino)cyclohexane

85. Ins-952(iv)

86. Sodium Cyclamate Anhydrous

87. Sodium Cyclamate [mart.]

88. Sodium Cyclamate [usp-rs]

89. Sodium Cyclamate [who-dd]

90. Bis(1-piperidinecarbodithioato)-zin

91. Tox21_202781

92. Zinc-n-pentamethylene Dithiocarbamate

93. Bdbm50500683

94. E-952(iv)

95. Mfcd00003827

96. Akos015897277

97. N-cyclohexanesulfamic Acid Sodium Salt

98. Ccg-213831

99. Cs-w015555

100. Hy-w014839

101. Sodium Cyclamate [ep Monograph]

102. Ncgc00164316-01

103. Ncgc00260327-01

104. Sodium (sulfonatoamino)cyclohexane

105. As-17602

106. Cas-139-05-9

107. Smr003500667

108. Ft-0624198

109. C19378

110. D02443

111. D70402

112. Q407786

113. Sulfamic Acid, N-cyclohexyl-, Sodium Salt (1:1)

114. J-007216

115. N-cyclohexylsulfamic Acid Sodium 100 Microg/ml In Water

116. N-cyclohexylsulfamic Acid Sodium 100 Microg/ml In Methanol

117. N-cyclohexylsulfamic Acid Sodium 1000 Microg/ml In Water

118. N-cyclohexylsulfamic Acid Sodium 10000 Microg/ml In Water

119. N-cyclohexylsulfamic Acid Sodium 1000 Microg/ml In Methanol

120. N-cyclohexylsulfamic Acid Sodium 1000 Microg/ml In Acetonitrile:water

2.4 Create Date

2008-02-05

3 Chemical and Physical Properties

Molecular Formula	C₆H₁₂NNaO₃S
Molecular Weight	201.22 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	201.04355870 g/mol
Monoisotopic Mass	201.04355870 g/mol
Topological Polar Surface Area	77.6 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	205
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	2

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Sweetening Agents

Substances that sweeten food, beverages, medications, etc., such as sugar, saccharine or other low-calorie synthetic products. (From Random House Unabridged Dictionary, 2d ed) (See all compounds classified as Sweetening Agents.)