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Tox21_202595
Also known as: 7631-99-4, Chile saltpeter, Cubic niter, Soda niter, Nitrate of soda, Sodium saltpeter
Molecular Formula
NNaO3
Molecular Weight
84.995  g/mol
InChI Key
VWDWKYIASSYTQR-UHFFFAOYSA-N
FDA UNII
8M4L3H2ZVZ

1 2D Structure

Tox21_202595

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
sodium;nitrate
2.1.2 InChI
InChI=1S/NO3.Na/c2-1(3)4;/q-1;+1
2.1.3 InChI Key
VWDWKYIASSYTQR-UHFFFAOYSA-N
2.1.4 Canonical SMILES
[N+](=O)([O-])[O-].[Na+]
2.2 Other Identifiers
2.2.1 UNII
8M4L3H2ZVZ
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 7631-99-4

2. Chile Saltpeter

3. Cubic Niter

4. Soda Niter

5. Nitrate Of Soda

6. Sodium Saltpeter

7. Nitrate, Sodium

8. Nitrate De Sodium

9. Nitric Acid, Sodium Salt

10. Nitric Acid Sodium Salt (1:1)

11. Nitric Acid Monosodium Salt

12. Sodium(i) Nitrate (1:1)

13. Sodium;nitrate

14. Natrum Nitricum

15. Mfcd00011119

16. 8m4l3h2zvz

17. Chili Saltpeter

18. Ins No.251

19. 15621-57-5

20. Chembl1644698

21. Chebi:63005

22. Ins-251

23. Nsc-77390

24. E-251

25. Na (n O3)

26. Sodium Nitrate(dot)

27. Caswell No. 781

28. Sodiumnitrate

29. Chile Salpeter

30. Saltpeter (chile) (van)

31. Nitrate De Sodium [french]

32. Ccris 558

33. Hsdb 726

34. Nano3

35. Einecs 231-554-3

36. Nsc 77390

37. Un1498

38. Unii-8m4l3h2zvz

39. Epa Pesticide Chemical Code 076104

40. Cubicniter

41. Natriumnitrat

42. Dsstox_cid_937

43. Sodium Nitrate (nano3)

44. Ec 231-554-3

45. Sodium Trioxidonitrate(1-)

46. Dsstox_rid_75877

47. Sodium Nitrate [ii]

48. Sodium Nitrate [mi]

49. Dsstox_gsid_20937

50. Sodium Nitrate, Acs Reagent

51. Sodium Nitrate [fcc]

52. Sodium Nitrate [hsdb]

53. Sodium Nitrate [inci]

54. Natrum Nitricum [hpus]

55. Sodium Nitrate [vandf]

56. Sodium Nitrate [mart.]

57. Sodium Nitrate, Lr, >=98%

58. Dtxsid6020937

59. Sodium Nitrate [who-dd]

60. Sodium Nitrate, Acs Reagent Grade

61. Sodium Nitrate, Analytical Standard

62. Sodium Nitrate, Ar, >=99.5%

63. Tox21_202595

64. Akos015902552

65. Akos025243988

66. Sodium Nitrate, Bioxtra, >=99.0%

67. Sodium Nitrate, Beads, 1-2 Mm, 98%

68. Sodium Nitrate, Containing In The Dry State More Than 16,3 Per Cent By Weight Of Nitrogen

69. Ncgc00260143-01

70. Sodium Nitrate [un1498] [oxidizer]

71. E251

72. Sodium Nitrate, Acs Reagent, >=99.0%

73. Cas-7631-99-4

74. Sodium Nitrate, 99.999% (metals Basis)

75. Sodium Nitrate, Bioultra, >=99.0% (t)

76. Sodium Nitrate, Reagentplus(r), >=99.0%

77. Sodium Nitrate, 99.995% Trace Metals Basis

78. Sodium Nitrate, Saj First Grade, >=99.0%

79. Sodium Nitrate, Jis Special Grade, >=99.0%

80. Q184373

81. Sodium Nitrate, >=99.0%, Plant Cell Culture Tested

82. Sodium Nitrate, Anhydrous, 99.995% Trace Metals Basis

83. Nitrogen And Oxygen Isotopes In Nitrate, Nist(r) Rm 8569

84. Sodium Nitrate, Puriss. P.a., Acs Reagent, Reag. Iso, >=99.5%

85. Sodium Nitrate, Meets Analytical Specification Of Fcc, E251, 99.0-100.5%

86. Sodium Nitrate, P.a., Acs Reagent, Reag. Iso, Reag. Ph. Eur., 99%

87. Sodium Nitrate, Anhydrous, Free-flowing, Redi-dri(tm), Reagentplus(r), >=99%

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 84.995 g/mol
Molecular Formula NNaO3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass84.97758714 g/mol
Monoisotopic Mass84.97758714 g/mol
Topological Polar Surface Area62.9 Ų
Heavy Atom Count5
Formal Charge0
Complexity18.8
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 Minimum/Potential Fatal Human Dose

3= MODERATELY TOXIC: Probable oral lethal dose (human) 0.5-5 g/kg, Between 1 ounce and 1 pint (or 1 lb) for 79 kg person (150 lb).

Gosselin, R.E., R.P. Smith, H.C. Hodge. Clinical Toxicology of Commercial Products. 5th ed. Baltimore: Williams and Wilkins, 1984., p. II-124


5 Pharmacology and Biochemistry
5.1 MeSH Pharmacological Classification

Carcinogens

Substances that increase the risk of NEOPLASMS in humans or animals. Both genotoxic chemicals, which affect DNA directly, and nongenotoxic chemicals, which induce neoplasms by other mechanism, are included. (See all compounds classified as Carcinogens.)


5.2 Absorption, Distribution and Excretion

In humans, ingested nitrate is rapidly absorbed from the proximal small bowel and distributed throughout the body. Nitrate then enters the large bowel from the blood, where it is rapidly converted to highly reactive nitrite, in part by fecal microorganisms. The formed nitrite is reabsorbed into the blood, where it reacts with the ferrous (Fe2+) iron of deoxyhemoglobin, forming methemoglobin with iron in the ferric (Fe3+) valence state. Ferric iron is unable to transport oxygen. Nitrates are rapidly converted in the liver to denitrated metabolites and inorganic nitrites, which are then excreted in urine. Approximately 60% to 70% of an ingested nitrate dose is excreted in urine within the first 24 hours. About 25% is excreted in saliva through an active blood nitrate transport system and potentially is reabsorbed. Half-lives of parent nitrate compounds are usually <1 hour; half-lives of metabolites range from 1 to 8 hours. /Nitrates/

ATSDR; Case Studies in Environmental Medicine. NITRATE/NITRITE TOXICITY. p 9. Course: SS3054. Revision Date: January 2001 Original Date: October 1991 Expiration Date: January 2007.


... Nitrate is concentrated in saliva, where a part of it is reduced to nitrite by bacterial nitrate reductases. /The authors/ tested if ingestion of inorganic nitrate would affect the salivary and systemic levels of nitrite and S-nitrosothiols, both considered to be circulating storage pools for NO. Levels of nitrate, nitrite, and S-nitrosothiols were measured in plasma, saliva, and urine before and after ingestion of sodium nitrate (10 mg/kg). Nitrate levels increased greatly in saliva, plasma, and urine after the nitrate load. Salivary S-nitrosothiols also increased, but plasma levels remained unchanged. A 4-fold increase in plasma nitrite was observed after nitrate ingestion. If, however, the test persons avoided swallowing after the nitrate load, the increase in plasma nitrite was prevented, thereby illustrating its salivary origin. We show that nitrate is a substrate for systemic generation of nitrite. There are several pathways to further reduce this nitrite to NO. These results challenge the dogma that nitrate is biologically inert and instead suggest that a complete reverse pathway for generation of NO from nitrate exists.

PMID:15223073 Lundberg JO, Govoni M; Free Radic Biol Med 37 (3): 395-400 (2004)


Nitrite was quickly eliminated from blood plasma of sheep (T1/2 = 0.49 hr). Three hours after its administration, nitrite ion disappeared from blood plasma. Simultaneously the appearance of nitrate was observed. After sodium nitrite or nitrate intravenous administration, the kinetic parameters for nitrate were similar (Kel = 0.150/ h and 0.154/ hr, respectively). Urine excretion of nitrite amounted to only 0.29%+/- 0.22 of the administered dose. Urine excretion of nitrate was 13.80%+/-5.78 of the administered dose of nitrite and was slightly lower than that observed after the administration of nitrate (16.12%+/- 6.95). The quick elimination of nitrite appears to be mainly from its conversion into nitrate, because the nitrate elimination in urine. as well as the values of its kinetic parameters, were similar after the administration of nitrite or nitrate. Elimination of nitrate from blood plasma of sheep over 80% was different than its excretion in urine in the unchanged.

Lewicki J et al; Small Ruminant Res; 13 (2). 141-6 (1994)


... Sodium ... nitrate /is/ for the most part rapidly absorbed & excreted unchanged ... /following oral ingestion/.

Gosselin, R.E., R.P. Smith, H.C. Hodge. Clinical Toxicology of Commercial Products. 5th ed. Baltimore: Williams and Wilkins, 1984., p. III-316


For more Absorption, Distribution and Excretion (Complete) data for SODIUM NITRATE (10 total), please visit the HSDB record page.


5.3 Metabolism/Metabolites

Transformation of nitrate to nitrite usually occurs within alimentary tract. Nitrite is intermediary product in redn of nitrate to ammonia within rumen of sheep & cow: it appears that above certain concn of nitrate, rate of redn of nitrite to ammonia becomes limiting & ... nitrite accumulates. Danger of nitrate poisoning is considered slight if nitrate is reduced in rumen or if complete redn to ammonia occurs rapidly ... /Inorganic nitrate salts/

Clarke, M. L., D. G. Harvey and D. J. Humphreys. Veterinary Toxicology. 2nd ed. London: Bailliere Tindall, 1981., p. 66


... Bacterial redn of nitrate to nitrite in human stomach was reported ... & n-nitrosodiphenylamine was identified in stomach contents of 31 human subjects who had received sodium nitrate & diphenylamine intragastrically.

Searle, C. E. (ed.). Chemical Carcinogens. ACS Monograph 173. Washington, DC: American Chemical Society, 1976., p. 590


Where bacteria are present and the environment can be anaerobic, nitrate can be reduced to nitrite. The main site for this reaction is mouth and stomach, but nitrite formation in the lower intestine and in the bladder (urinary infection) may also be of some toxicological importance. Nitrite may be further reduced to nitrogen by bacteria under some conditions. In blood, nitrite transforms hemoglobin to methemoglobin and is simultaneously oxidized to nitrate. Normally methemoglobin gradually reverts to hemoglobin through enzymatic reactions. Nitrite has vasodilating properties, probably through transformation into nitric oxide (NO) or a NO-containing molecule acting as a signal factor for smooth muscle relaxation. Nitrite easily transforms into a nitrosating agent in an acidic environment and can react with a variety of compounds, eg ascorbic acid, amines, amides. Nitrosation can also be mediated by bacteria, eg in the stomach. Some reaction products are carcinogenic (eg most nitrosoamines and amides). /Nitrate and nitrite/

IPCS; Poisons Information Monograph G016: Nitrates and nitrites. (September 1996). Available from, as of October 24, 2006: https://www.inchem.org/documents/pims/chemical/pimg016.htm


Nitrate salts as such are no more toxic than other neutral salts, but if not promptly absorbed, they may be reduced to nitrites by bacteria in the bowel ... /Nitrate salts/

Gosselin, R.E., R.P. Smith, H.C. Hodge. Clinical Toxicology of Commercial Products. 5th ed. Baltimore: Williams and Wilkins, 1984., p. 124


For more Metabolism/Metabolites (Complete) data for SODIUM NITRATE (8 total), please visit the HSDB record page.


5.4 Mechanism of Action

There is an active endogenous nitrogen cycle in humans that involves nitrate and nitrite, which are interconvertible in vivo. Nitrosating agents that arise from nitrite under acidic gastric conditions react readily with nitrosatable compounds, especially secondary amines and amides, to generate N-nitroso compounds. These nitrosating conditions are enhanced following ingestion of additional nitrate, nitrite or nitrosatable compounds. Some of the N-nitroso compounds that could be formed in humans under these conditions are known carcinogens.

IARC. Monographs on the Evaluation of the Carcinogenic Risk of Chemicals to Humans. Geneva: World Health Organization, International Agency for Research on Cancer, 1972-PRESENT. (Multivolume work). Available at: https://monographs.iarc.fr/ENG/Classification/index.php, p. V. 94: p. 323 (2010)


The principal mechanism of nitrite toxicity is the oxidation of the ferrous iron (Fe2+) in deoxyhemoglobin to the ferric (Fe3+) valence state, producing methemoglobin. /Nitrates and nitrites/

ATSDR; Case Studies in Environmental Medicine. NITRATE/NITRITE TOXICITY.p 9-11. Course: SS3054. Revision Date: January 2001 Original Date: October 1991 Expiration Date: January 2007.


... The major concern of possible long-term effects of exposure to nitrate and nitrite is associated with formation of nitroso compounds, many of which are carcinogenic. This formation may take place wherever nitrite and nitrosable compounds are present, but it is favored by acidic conditions or the presence of some bacteria. The gastrointestinal tract and especially the stomach is regarded as the main formation site, but nitrosation reactions can also take place in an infected urinary bladder ... /Nitrate and nitrite poisoning/

IPCS; Poisons Information Monograph G016: Nitrates and nitrites. (September 1996). Available from, as of October 24, 2006: https://www.inchem.org/documents/pims/chemical/pimg016.htm


Nitrates can be reduced to nitrites which can react with amines or amides and form N-nitroso cmpd (containing the group =N-N=O). N-nitroso cmpd are carcinogenic in a wide range of animal species, most are mutagenic in test systems and some have been teratogenic in animals. It is highly probable that N-nitroso cmpd also may be carcinogenic in man. Therefore exposure to N-nitroso cmpd and their precursors (nitrite, amines and amides) should be kept as low as practically achievable. Relationships have been sought between occurrence of stomach cancer and nitrate content of soil and water in Chile, Colombia and the United Kingdom, but none was established. /Nitrate/

European Chemicals Bureau; IUCLID Dataset, Potassium nitrate (7757-79-1) (2000 CD-ROM edition). Available from, as of October 26, 2006: https://esis.jrc.ec.europa.eu/


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