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Polyisocyanurate

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ACTIVE PHARMA INGREDIENTS

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ANALYTICAL

2 Analytical Methods

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2 Analytical Methods

Synopsis

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Chemistry

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Also known as: 108-80-5, 1,3,5-triazine-2,4,6-triol, Isocyanuric acid, Trihydroxycyanidine, Tricyanic acid, Sym-triazinetriol

Molecular Formula

C₃H₃N₃O₃

Molecular Weight

129.07 g/mol

InChI Key

ZFSLODLOARCGLH-UHFFFAOYSA-N

FDA UNII

H497R4QKTZ

cyanuric acid is a natural product found in Acokanthera oblongifolia with data available.

1 2D Structure

Cyanuric Acid

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1,3,5-triazinane-2,4,6-trione

2.1.2 InChI

InChI=1S/C3H3N3O3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9)

2.1.3 InChI Key

ZFSLODLOARCGLH-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1(=O)NC(=O)NC(=O)N1

2.2 Other Identifiers

2.2.1 UNII

H497R4QKTZ

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Cyanuric Acid, Cupric Ammonia (+2) Salt

2. Cyanuric Acid, Disodium Salt

3. Cyanuric Acid, Monopotassium Salt

4. Cyanuric Acid, Monosodium Salt

5. Cyanuric Acid, Potassium Salt

6. Cyanuric Acid, Sodium Salt

7. Cyanuric Acid, Trisodium Salt

8. S-triazine-2,4,6-triol

2.3.2 Depositor-Supplied Synonyms

1. 108-80-5

2. 1,3,5-triazine-2,4,6-triol

3. Isocyanuric Acid

4. Trihydroxycyanidine

5. Tricyanic Acid

6. Sym-triazinetriol

7. S-triazinetriol

8. 1,3,5-triazinane-2,4,6-trione

9. 1,3,5-triazine-2,4,6(1h,3h,5h)-trione

10. Pseudocyanuric Acid

11. Isocyanurate Acid

12. 2,4,6-trihydroxy-1,3,5-triazine

13. Tricarbimide

14. S-triazine-2,4,6-triol

15. S-2,4,6-triazinetriol

16. Trihydroxytriazine

17. Kyselina Kyanurova

18. S-cyanuric Acid

19. Cyanuric Acid (van)

20. S-triazinetrione

21. S-triazine-2,4,6(1h,3h,5h)-trione

22. Kyselina Kyanurova [czech]

23. 5-azabarbituric Acid

24. Sym-triazine-2,4,6-triol

25. Cyanurate

26. Cyanursaure

27. Triazinetrione

28. Triazine-2,4,6-triol

29. Nsc 6284

30. S-triazine-2,4,6-trione

31. 2,4,6-trihydroxy-s-triazine

32. 2,4,6-triazinetrione

33. 2,4,6-trihydroxytriazine

34. H497r4qktz

35. Dtxsid7024873

36. Chebi:17696

37. 1,3,5-triazin-2,4,6-triol

38. Nsc-6284

39. Triazine-2,4,6(1h,3h,5h)-trione

40. 2,4,6-trioxohexahydro-1,3,5-triazine

41. Dsstox_cid_4873

42. Dsstox_rid_77560

43. Dsstox_gsid_24873

44. Caswell No. 862

45. Cas-108-80-5

46. Ccris 5895

47. Cuprammonium Cyanurate

48. Hsdb 2818

49. Einecs 203-618-0

50. Unii-h497r4qktz

51. Epa Pesticide Chemical Code 081402

52. Cp 4789

53. Isocyanurate

54. Trihydroxy-1,3,5-triazine

55. Cyanursaeure

56. Isocyanursaeure

57. Isozyanursaeure

58. Zyanursaeure

59. Zyanursaure

60. Ai3-26483

61. Iso Cyanuric Acid

62. Wdl

63. Normal Cyanuric Acid

64. S-2,6-triazinetriol

65. Cyanuric Acid, 98%

66. S-triazine-2,6-triol

67. Bmse000135

68. Kyselina Kyanurova(czech)

69. Ec 203-618-0

70. Cyanuric Acid [mi]

71. Schembl20706

72. Cyanuric Acid [hsdb]

73. Chembl243087

74. Schembl12145619

75. Chebi:38028

76. Nsc6284

77. 2,6-trihydroxy-1,3,5-triazine

78. Cyanuric Acid, Analytical Standard

79. Wln: T6n Cn Enj Bq Dq Fq

80. Tox21_202362

81. Tox21_303192

82. Bbl002489

83. Mfcd00082990

84. Stk386958

85. Zinc18044615

86. (c O)3 (n H)3

87. Akos000297068

88. Akos023552913

89. S-triazine-2,6(1h,3h,5h)-trione

90. Cs-w011123

91. Sb73670

92. Ncgc00249215-01

93. Ncgc00257109-01

94. Ncgc00259911-01

95. 40580-20-9

96. 504-19-8

97. Ac-11368

98. As-14694

99. Db-040845

100. 1,5-triazine-2,4,6(1h,3h,5h)-trione

101. Ft-0624143

102. Ft-0665325

103. En300-24846

104. C06554

105. E82993

106. S-triazine-2,4,6(1h,3h,5h)-trione (8ci)

107. 1,3,5-triazine-2,4, 6(1h,3h,5h)-trione

108. A801927

109. Cyanuric Acid, Purum, Anhydrous, >=98.0% (t)

110. Q411314

111. 1,3,5-triazine-2,4,6-triol (acd/name 4.0)

112. W-108712

113. F0001-0180

114. Z1259273383

115. 1,3,5-triazine-2,4,6(1h,3h,5h)-trione, Copper(2+) Salt (1:1) Monoammoniate

2.4 Create Date

2004-09-16

3 Chemical and Physical Properties

Molecular Formula	C₃H₃N₃O₃
Molecular Weight	129.07 g/mol
XLogP3	-1.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	129.01744097 g/mol
Monoisotopic Mass	129.01744097 g/mol
Topological Polar Surface Area	87.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	136
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

4 Pharmacology and Biochemistry

4.1 Absorption, Distribution and Excretion

Cyanuric acid, when given to rats, was rapidly excreted in an unchanged form.

Kearney, P.C., and D. D. Kaufman (eds.) Herbicides: Chemistry, Degredation and Mode of Action. Volumes 1 and 2. 2nd ed. New York: Marcel Dekker, Inc., 1975., p. 174

4.2 Metabolism/Metabolites

(14)C-Labeled cyanuric acid...liberated 13.2 & 7.9% of absorbed radioactivity as (14)CO2 from corn & alfalfa, respectively /after an uptake period lasting from 4 days to 2 wk followed by a depletion period of up to 6 wk. The mechanism involved is triazine ring cleavage./

Kearney, P.C., and D. D. Kaufman (eds.) Herbicides: Chemistry, Degredation and Mode of Action. Volumes 1 and 2. 2nd ed. New York: Marcel Dekker, Inc., 1975., p. 163

Approx 90% of the administered dose is reported to be excreted in urine within 12 hr and 99% of this is identified as cyanuric acid.

USEPA; Chemical Hazard Information Profile (Draft): Cyanuric Acid and Chlorinated Derivatives (1981).

4.3 Biological Half-Life

90% excreted within 12 hours, and of this 99% is excreted unchanged as cyanuric acid; [HSDB]

ANALYTICAL

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