SODIUM NITRITE

Relevant Data

Food Additives Approved by WHO:

Food Additives Approved by European Union:

  • Sodium nitrite [show]

General Information

MaintermSODIUM NITRITE
Doc TypeASP
CAS Reg.No.(or other ID)7632-00-0
Regnum 175.105
175.300
178.3910
176.170
176.180
177.1210
177.2600
178.3570
172.820
172.824
181.33
181.34
172.177
172.170
172.175
573.700

From www.fda.gov

Computed Descriptors

Download SDF
2D Structure
CID23668193
IUPAC Namesodium;nitrite
InChIInChI=1S/HNO2.Na/c2-1-3;/h(H,2,3);/q;+1/p-1
InChI KeyLPXPTNMVRIOKMN-UHFFFAOYSA-M
Canonical SMILESN(=O)[O-].[Na+]
Molecular FormulaNaNO2
Wikipediasodium nitrite

From Pubchem

Computed Properties

Property Name Property Value
Molecular Weight68.995
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Complexity13.5
CACTVS Substructure Key Fingerprint A A A D c Q A C M C A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A E A A A A A A A A A A A A A A A A Q A A B A A A A A Q A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = =
Topological Polar Surface Area52.5
Monoisotopic Mass68.983
Exact Mass68.983
Compound Is CanonicalizedTrue
Formal Charge0
Heavy Atom Count4
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Isotope Atom Count0
Covalently-Bonded Unit Count2

From Pubchem

Toxicity Profile

Route of ExposureOral ; inhalation
Mechanism of ToxicityNitrite causes the autocatalytic oxidation of oxyhemoglobin to hydrogen peroxide and methemoglobin. This elevation of methemoglobin levels is a condition known as methemoglobinemia, and is characterized by tissue hypoxia, as methemoglobin cannot bind oxygen.
MetabolismNitrites and their metabolites are excreted in the urine.
Toxicity ValuesLD50: 158 mg/kg (Intraperitoneal, Mouse) LD50: 65 mg/kg (Intravenous, Rat) LD50: 85 mg/kg (Oral, Rat) LC50: 5.5 mg/L over 4 hours (Inhalation, Rat)
Lethal Dose10 to 100 mg/kg for an adult human.
Carcinogenicity (IARC Classification)Ingested nitrate or nitrite under conditions that result in endogenous nitrosation is probably carcinogenic to humans (Group 2A).
Minimum Risk Level
Health EffectsNitrite poisoning causes methemoglobinemia. Nitrites may cause pregnancy complications and developmental effects. They may also be carcinogenic. (L1137)
TreatmentMethemoglobinemia can be treated with supplemental oxygen and methylene blue 1% solution administered intravenously slowly over five minutes followed by IV flush with normal saline. Methylene blue restores the iron in hemoglobin to its normal (reduced) oxygen-carrying state.
Reference
  1. Keszler A, Piknova B, Schechter AN, Hogg N: The reaction between nitrite and oxyhemoglobin: a mechanistic study. J Biol Chem. 2008 Apr 11;283(15):9615-22. doi: 10.1074/jbc.M705630200. Epub 2008 Jan 17.[18203719 ]

From T3DB

Taxonomic Classification

KingdomInorganic compounds
SuperclassMixed metal/non-metal compounds
ClassAlkali metal oxoanionic compounds
SubclassAlkali metal nitrites
Intermediate Tree NodesNot available
Direct ParentAlkali metal nitrites
Alternative Parents
Molecular FrameworkNot available
SubstituentsAlkali metal nitrite - Inorganic nitrite - Inorganic sodium salt - Inorganic oxide - Inorganic salt
DescriptionThis compound belongs to the class of inorganic compounds known as alkali metal nitrites. These are inorganic compounds in which the largest oxoanion is nitrite, and in which the heaviest atom not in an oxoanion is an alkali metal.

From ClassyFire

Targets

Target Details

Hemoglobin subunit alpha

General Function:
Oxygen transporter activity
Specific Function:
Involved in oxygen transport from the lung to the various peripheral tissues.
Gene Name:
HBA1
Uniprot ID:
P69905
Molecular Weight:
15257.405 Da
References
  1. Wikipedia. Methemoglobinemia. Last Updated 22 July 2009. : http://en.wikipedia.org/wiki/Methemoglobinemia [18203719 ]
Target Details

Hemoglobin subunit beta

General Function:
Oxygen transporter activity
Specific Function:
Involved in oxygen transport from the lung to the various peripheral tissues.LVV-hemorphin-7 potentiates the activity of bradykinin, causing a decrease in blood pressure.Spinorphin: functions as an endogenous inhibitor of enkephalin-degrading enzymes such as DPP3, and as a selective antagonist of the P2RX3 receptor which is involved in pain signaling, these properties implicate it as a regulator of pain and inflammation.
Gene Name:
HBB
Uniprot ID:
P68871
Molecular Weight:
15998.34 Da
References
  1. Wikipedia. Methemoglobinemia. Last Updated 22 July 2009. : http://en.wikipedia.org/wiki/Methemoglobinemia [18203719 ]
Target Details

Hemoglobin subunit delta

General Function:
Oxygen transporter activity
Specific Function:
Involved in oxygen transport from the lung to the various peripheral tissues.
Gene Name:
HBD
Uniprot ID:
P02042
Molecular Weight:
16055.41 Da
References
  1. Wikipedia. Methemoglobinemia. Last Updated 22 July 2009. : http://en.wikipedia.org/wiki/Methemoglobinemia [18203719 ]
Target Details

Hemoglobin subunit epsilon

General Function:
Oxygen transporter activity
Specific Function:
The epsilon chain is a beta-type chain of early mammalian embryonic hemoglobin.
Gene Name:
HBE1
Uniprot ID:
P02100
Molecular Weight:
16202.71 Da
References
  1. Wikipedia. Methemoglobinemia. Last Updated 22 July 2009. : http://en.wikipedia.org/wiki/Methemoglobinemia [18203719 ]
Target Details

Hemoglobin subunit gamma-1

General Function:
Oxygen transporter activity
Specific Function:
Gamma chains make up the fetal hemoglobin F, in combination with alpha chains.
Gene Name:
HBG1
Uniprot ID:
P69891
Molecular Weight:
16140.37 Da
References
  1. Wikipedia. Methemoglobinemia. Last Updated 22 July 2009. : http://en.wikipedia.org/wiki/Methemoglobinemia [18203719 ]
Target Details

Hemoglobin subunit gamma-2

General Function:
Gamma chains make up the fetal hemoglobin F, in combination with alpha chains.
Specific Function:
Heme binding
Gene Name:
HBG2
Uniprot ID:
P69892
Molecular Weight:
16126.35 Da
References
  1. Wikipedia. Methemoglobinemia. Last Updated 22 July 2009. : http://en.wikipedia.org/wiki/Methemoglobinemia [18203719 ]
Target Details

Hemoglobin subunit mu

General Function:
Oxygen transporter activity
Gene Name:
HBM
Uniprot ID:
Q6B0K9
Molecular Weight:
15617.97 Da
References
  1. Wikipedia. Methemoglobinemia. Last Updated 22 July 2009. : http://en.wikipedia.org/wiki/Methemoglobinemia [18203719 ]
Target Details

Hemoglobin subunit theta-1

General Function:
Oxygen transporter activity
Gene Name:
HBQ1
Uniprot ID:
P09105
Molecular Weight:
15507.575 Da
References
  1. Wikipedia. Methemoglobinemia. Last Updated 22 July 2009. : http://en.wikipedia.org/wiki/Methemoglobinemia [18203719 ]
Target Details

Hemoglobin subunit zeta

General Function:
Oxygen transporter activity
Specific Function:
The zeta chain is an alpha-type chain of mammalian embryonic hemoglobin.
Gene Name:
HBZ
Uniprot ID:
P02008
Molecular Weight:
15636.845 Da
References
  1. Wikipedia. Methemoglobinemia. Last Updated 22 July 2009. : http://en.wikipedia.org/wiki/Methemoglobinemia [18203719 ]

From T3DB