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Chemistry

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Also known as: 7631-90-5, Sodium hydrogen sulfite, Sodium hydrogensulfite, Sodium bisulphite, Sulfurous acid, monosodium salt, Sodium sulhydrate

Molecular Formula

HNaO₃S

Molecular Weight

104.06 g/mol

InChI Key

DWAQJAXMDSEUJJ-UHFFFAOYSA-M

FDA UNII

TZX5469Z6I

Sodium bisulfite has been used externally for parasitic skin diseases and as a gastrointestinal antiseptic.

1 2D Structure

Sodium Bisulfite

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

sodium;hydrogen sulfite

2.1.2 InChI

InChI=1S/Na.H2O3S/c;1-4(2)3/h;(H2,1,2,3)/q+1;/p-1

2.1.3 InChI Key

DWAQJAXMDSEUJJ-UHFFFAOYSA-M

2.1.4 Canonical SMILES

OS(=O)[O-].[Na+]

2.2 Other Identifiers

2.2.1 UNII

TZX5469Z6I

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 7631-90-5

2. Sodium Hydrogen Sulfite

3. Sodium Hydrogensulfite

4. Sodium Bisulphite

5. Sulfurous Acid, Monosodium Salt

6. Sodium Sulhydrate

7. Monosodium Sulfite

8. Sodium Hydrogen Sulphite

9. Monosodic Sulphite

10. Nahso3

11. Liquid Of Sodium Bisulfite

12. Ins No.222

13. Tzx5469z6i

14. Chembl1689285

15. Chebi:26709

16. Ins-222

17. Sulfurous Acid, Sodium Salt (1:1)

18. Nsc-60680

19. E-222

20. Uantax Sbs

21. Sodium Bisulfite, Mixture Of Nahso3 And Na2s2o5

22. Caswell No. 750

23. Hydrogen Sodium Sulfite

24. Sodium Bisulfite [jan]

25. Sodium Hydrosulfite(dot)

26. Mfcd00003530

27. Bisulfite De Sodium [french]

28. Ccris 3950

29. Hsdb 724

30. Sodium Hydrogensulphite

31. Einecs 231-548-0

32. Nsc 60680

33. Epa Pesticide Chemical Code 078201

34. Sodium Bisulfite [jan:nf]

35. Sodiumbisulfit

36. Unii-tzx5469z6i

37. Sodium Hydrogensulphite (aqueous Solution)

38. Ai3-08582

39. Sodium Hydrogen Sulfite, Solution

40. Sodium Bi-sulphite

41. Sodiumhydrogensulfit

42. Saures Natriumsulfit

43. Natriumhydrogensulfit

44. Sodiumhydrogensulphite

45. Sodium Hydogen Sulfite

46. Primaeres Natriumsulfit

47. Sodium Hydrogen-sulfite

48. Sodium;hydrogen Sulfite

49. E222

50. Sodium Bisulfite (tn)

51. Sodium Bisulfite (jp17)

52. Ec 231-548-0

53. Sodium Hydrogen Sulfite Solution (45% Or Less)

54. Dsstox_cid_14902

55. Dsstox_gsid_47218

56. Sodium Bisulfite [ii]

57. Sodium Bisulfite [mi]

58. Sodium Bisulfite, Acs Reagent

59. Sodium Bisulfite [fcc]

60. Sodium Bisulfite [hsdb]

61. Sodium Bisulfite [inci]

62. Dtxsid8034902

63. Sodium Bisulfite [vandf]

64. Sodium Bisulfite [mart.]

65. Sodium Bisulfite [who-dd]

66. Tox21_303826

67. Akos015856800

68. Db14015

69. Ncgc00357103-01

70. Sodium Bisulfite Solution, Purum, ~40%

71. Bp-12336

72. Sodium Bisulfite Aqueous Solution 35-40%

73. Sodium Bisulfite, 37-40% Aqueous Solution

74. Ft-0698943

75. D02059

76. Q407891

77. Sodium Hydrogensulfite, Mixture Of Nahso3 And Na2s2o5

2.4 Create Date

2008-02-05

3 Chemical and Physical Properties

Molecular Formula	HNaO₃S
Molecular Weight	104.06 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	103.95440935 g/mol
Monoisotopic Mass	103.95440935 g/mol
Topological Polar Surface Area	79.6 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	33.9
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 Drug and Medication Information

4.1 Therapeutic Uses

Mutagens; Anti-Infective Agents, Local; Antioxidants

National Library of Medicine's Medical Subject Headings online file (MeSH, 1999)

DIETARY SUPPLEMENTS

Sax, N.I. and R.J. Lewis, Sr. (eds.). Hawley's Condensed Chemical Dictionary. 11th ed. New York: Van Nostrand Reinhold Co., 1987., p. 1054

5 Pharmacology and Biochemistry

5.1 MeSH Pharmacological Classification

Anti-Infective Agents, Local

Substances used on humans and other animals that destroy harmful microorganisms or inhibit their activity. They are distinguished from DISINFECTANTS, which are used on inanimate objects. (See all compounds classified as Anti-Infective Agents, Local.)

Antioxidants

Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues. (See all compounds classified as Antioxidants.)

Mutagens

Chemical agents that increase the rate of genetic mutation by interfering with the function of nucleic acids. A clastogen is a specific mutagen that causes breaks in chromosomes. (See all compounds classified as Mutagens.)

5.2 Absorption, Distribution and Excretion

EIGHTY TO 90% OF AN INTRAPERITONEAL DOSE IN RATS CAN BE ACCOUNTED FOR AS URINARY SULFATE IN 4 HR.

Gosselin, R.E., R.P. Smith, H.C. Hodge. Clinical Toxicology of Commercial Products. 5th ed. Baltimore: Williams and Wilkins, 1984., p. II-123

Approx 50% of the ingested bisulfite is absorbed from rat gut.

American Conference of Governmental Industrial Hygienists, Inc. Documentation of the Threshold Limit Values and Biological Exposure Indices. 6th ed. Volumes I, II, III. Cincinnati, OH: ACGIH, 1991., p. 1408

Bisulfite is oxidized in vivo to sulfate, principally by hepatic sulfite oxidase, with lesser amounts metabolized by the kidneys, intestines, heart, & lungs. Some 70 to 95% of the radioactivity assoc with a 50 mg/kg oral bisulfite dose appeared in rodent & monkey urine within 3 days as sulfate. Only a small fraction (8-10%) of the absorbed bisulfite was eliminated intact.

5.3 Metabolism/Metabolites

Bisulfite is oxidized in vivo to sulfate, principally by hepatic sulfite oxidase, with lesser amounts metabolized by the kidneys, intestines, heart, & lungs.

Rat liver contains 10 to 20 times more sulphite oxidase activity than does human liver.

5.4 Mechanism of Action

Sodium bisulfite is a mutagen that can specifically deaminate more than 96% of the cytosine residues in single-stranded DNA via formation of a 5,6-dihydrocytosine-6-sulfonate intermediate.

PMID:7443525 Full text: https://www.ncbi.nlm.nih.gov/pmc/articles/PMC324387 Wang RY et al; Nucleic Acids Res 8 (20): 4777-90 (1980)

Bisulfite concn of 100 mM caused nearly complete inhibition of dNTP incorporation in calf thymus DNA. Preincubation of the various DNA synthesis assay components in 100 mM bisulfite showed that only preincubation of DNA polymerase I caused inhibition of DNA synthesis. There was a 7.5-fold decrease in the fidelity of DNA synthesis. It is hypothesized that sulfitolysis of the one disulfide group in DNA polymerase I by bisulfite might be responsible for reduced polymerase activity and accuracy. Effects of bisulfite on mutation frequency might be mediated by effects on the fidelity of DNA repair systems.

PMID:6352068 Mallon RG, Rossman TG; Chem Biol Interact 46 (1): 101-8 (1983)

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