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2D Structure
Also known as: 2893-78-9, Dichloroisocyanuric acid sodium salt, Troclosene sodium, Sodium 3,5-dichloro-2,4,6-trioxo-1,3,5-triazinan-1-ide, Sodium dichloro-s-triazinetrione, Dichloroisocyanuric acid, sodium salt
Molecular Formula
C3Cl2N3NaO3
Molecular Weight
219.94  g/mol
InChI Key
MSFGZHUJTJBYFA-UHFFFAOYSA-M
FDA UNII
07M9U9U0LK

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
sodium;1,3-dichloro-1,3-diaza-5-azanidacyclohexane-2,4,6-trione
2.1.2 InChI
InChI=1S/C3HCl2N3O3.Na/c4-7-1(9)6-2(10)8(5)3(7)11;/h(H,6,9,10);/q;+1/p-1
2.1.3 InChI Key
MSFGZHUJTJBYFA-UHFFFAOYSA-M
2.1.4 Canonical SMILES
C1(=O)[N-]C(=O)N(C(=O)N1Cl)Cl.[Na+]
2.2 Other Identifiers
2.2.1 UNII
07M9U9U0LK
2.3 Synonyms
2.3.1 MeSH Synonyms

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

2. Actichlor

3. Chlorcyanurate

4. Chlordesine

5. Chlordezine

6. Dichloroisocyanuric Acid

7. Dikon

8. Dikonit

9. Neoaquasept

10. Potassium Dichloro-s-triazinetrione

11. Presept

12. Sodium Dichloro-s-triazine-2,4,6(1h,3h,5h)-trione

13. Troclosene

14. Troclosene, Potassium Salt

15. Troclosene, Sodium Salt

16. Troclosene, Sodium Salt, Dihydrate

2.3.2 Depositor-Supplied Synonyms

1. 2893-78-9

2. Dichloroisocyanuric Acid Sodium Salt

3. Troclosene Sodium

4. Sodium 3,5-dichloro-2,4,6-trioxo-1,3,5-triazinan-1-ide

5. Sodium Dichloro-s-triazinetrione

6. Dichloroisocyanuric Acid, Sodium Salt

7. 1260366-40-2

8. Sdic

9. Sodium Dichlorocyanurate

10. Sodium Troclosene

11. Ncgc00164091-01

12. Dsstox_cid_4994

13. Dsstox_rid_77616

14. Dsstox_gsid_24994

15. Actisept

16. Clearon

17. 07m9u9u0lk

18. Neochlor 55

19. Cas-2893-78-9

20. 1,3,5-triazine-2,4,6(1h,3h,5h)-trione, 1,3-dichloro-, Sodium Salt

21. Dichloro-s-triazinetrione Sodium Salt

22. Nadcc

23. Dichlorosan

24. 1,3,5-triazine-2,4,6(1h,3h,5h)-trione, 1,3-dichloro-, Sodium Salt (1:1)

25. Dichloroisocyanuric Acid Sodium

26. Schembl2485330

27. 3,5-dichloro-2-hydroxy-4,6-s-triazinedione Sodium Salt

28. Chembl3182790

29. Dtxsid3024994

30. Troclosene Sodium [hsdb]

31. Sodium Dichloroisocyanurate Powder

32. Sodium Dichloroisocyanurate, 96%

33. Troclosene Sodium [mart.]

34. Troclosene Sodium [who-dd]

35. Tox21_112083

36. Tox21_201601

37. Tox21_303262

38. Mfcd00006036

39. Akos024363213

40. Ncgc00257133-01

41. Ncgc00259150-01

42. Sodium Dichloroisocyanurate [jan]

43. Sodium Dichloroisocyanurate(sdic Or Nadcc)

44. D1003

45. Ft-0624714

46. J-017330

47. F0001-0906

48. Sodium3,5-dichloro-2,4,6-trioxo-1,3,5-triazinan-1-ide

49. Sodium;1,3-dichloro-1,3-diaza-5-azanidacyclohexane-2,4,6-trione

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 219.94 g/mol
Molecular Formula C3Cl2N3NaO3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass218.9214405 g/mol
Monoisotopic Mass218.9214405 g/mol
Topological Polar Surface Area58.7 Ų
Heavy Atom Count12
Formal Charge0
Complexity225
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
4 Drug and Medication Information
4.1 Therapeutic Uses

The microbiologic effectiveness of sodium dichloroisocyanurate (NaDCC) tablets used on a routine basis at the household level by a vulnerable population /was assessed/. In a 4-mo trial in Dhaka, Bangladesh, one half of the 100 participating households received NaDCC tablets and instructions on how to use the same; the other one half received a placebo and the same instructions. Monthly samples of stored drinking water from intervention households were significantly lower in thermotolerant coliforms (TTCs) than those of control households (geometric mean, 2.8 [95% CI: 2.2, 3.6] versus 604.1 [95% CI: 463.2, 787.9]; P < 0.0001). While 61.7% (116/188) of samples from the intervention households met World Health Organization (WHO) guidelines for 0 TTCs in drinking water, none of the 191 samples from control households met such a benchmark. Residual free chlorine in water samples suggested that householders consistently used the intervention, but 11.7% of samples exceeded the WHO guideline value of 5.0 mg/L, underscoring the need to ensure that tablet dose and vessel size are compatible.

PMID:17255252 Clasen T et al; Am J Trop Med Hyg 76 (1): 187-92 (2007).


4.2 Minimum/Potential Fatal Human Dose

3. 3 = moderately toxic: probable oral lethal dose (human) 0.5-5 g/kg, between 1 oz and 1 pint for 70 kg person (150 lb). /Trichloroisocyanuric acid/

Gosselin, R.E., H.C. Hodge, R.P. Smith, and M.N. Gleason. Clinical Toxicology of Commercial Products. 4th ed. Baltimore: Williams and Wilkins, 1976., p. II-77


5 Pharmacology and Biochemistry
5.1 MeSH Pharmacological Classification

Antifungal Agents

Substances that destroy fungi by suppressing their ability to grow or reproduce. They differ from FUNGICIDES, INDUSTRIAL because they defend against fungi present in human or animal tissues. (See all compounds classified as Antifungal Agents.)


Antiviral Agents

Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly. (See all compounds classified as Antiviral Agents.)


Disinfectants

Substances used on inanimate objects that destroy harmful microorganisms or inhibit their activity. Disinfectants are classed as complete, destroying SPORES as well as vegetative forms of microorganisms, or incomplete, destroying only vegetative forms of the organisms. They are distinguished from ANTISEPTICS, which are local anti-infective agents used on humans and other animals. (From Hawley's Condensed Chemical Dictionary, 11th ed) (See all compounds classified as Disinfectants.)


5.2 Absorption, Distribution and Excretion

Metabolism studies in both the rat and dog, following administration of (14)C-sodium isocyanurate by the oral and iv routes, demonstrated rapid absorption, distribution, and excretion of unmetabolized isocyanurate. ... At the 5 mg/kg dose, excretion was largely via the urine with about 5% in the feces. At the 500 mg/kg oral dose, 55-70% (rats) or 27-86% (dogs) was excreted in the feces and the remainder in the urine. /Sodium isocyanurate/

USEPA/Office of Pesticide Programs; Reregistration Eligibility Decision Document - Chlorinated Isocyanurates p.17 H-750BW (September, 1992). Available from, as of September 24, 2009: https://www.epa.gov/oppsrrd1/REDs/old_reds/chlorinated_isocyanurates.pdf


5.3 Metabolism/Metabolites

Both s-triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-trichloro- and s-triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-, sodium salt are unstable in the body (particularly the stomach) because the available chlorine is rapidly reduced. Cyanuric acid (or its monosodium salt) is the degradation product from both products.

EPA/Office of Pollution Prevention and Toxics; High Production Volume Information System (HPVIS) on 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-trichloro- (87-90-1). Available from, as of September 24, 2009: https://www.epa.gov/hpvis/index.html


5.4 Biological Half-Life

Administration of (14C)sodium isocyanurate by the oral and iv routes demonstrated rapid absorption, distribution, and excretion of unmetabolized isocyanurate. The elimination half-life in rats was 32-43 min following 5 mg/kg iv or oral administration. The half-life was 122-148 min after oral dosing at 500 mg/kg.

USEPA/Office of Pesticide Programs; Reregistration Eligibility Decision Document - Chlorinated Isocyanurates p.17 H-750BW (September, 1992). Available from, as of September 24, 2009: https://www.epa.gov/oppsrrd1/REDs/old_reds/chlorinated_isocyanurates.pdf