Sodium arsenite (CHEM000212)

IdentificationTaxonomyBiological PropertiesPhysical PropertiesToxicity ProfileSpectraConcentrationsLinksReferencesTargets (44)XML
Record Information
Version1.0
Creation Date2009-03-06 18:58:21 UTC
Update Date2016-11-09 01:08:11 UTC
Accession NumberCHEM000212
Identification
Common NameSodium arsenite
ClassSmall Molecule
DescriptionSodium arsenite is a chemical compound derived from arsenous acid. Arsenous acid is the hydrolyzed form of arsenic trioxide and is found in aqueous solutions. (9)
Contaminant Sources
  • Clean Air Act Chemicals
  • IARC Carcinogens Group 1
  • T3DB toxins
Contaminant Type
  • Arsenic Compound
  • Industrial/Workplace Toxin
  • Inorganic Compound
  • Metalloid
  • Pollutant
  • Synthetic Compound
Chemical Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
(NaAsO2)NChEBI
Na(+)N-(-as(O(-))O-)-NChEBI
NaAsO2ChEBI
Sodium dioxoarsenateChEBI
Sodium meta-arseniteChEBI
Sodium metaarseniteChEBI
Sodium dioxoarsenic acidGenerator
Chemical FormulaAsNaO2
Average Molecular Mass129.910 g/mol
Monoisotopic Mass129.901 g/mol
CAS Registry Number7784-46-5
IUPAC Name(arsorosooxy)sodium
Traditional Name(arsorosooxy)sodium
SMILES[Na]O[As]=O
InChI IdentifierInChI=1S/AsHO2.Na/c2-1-3;/h(H,2,3);/q;+1/p-1
InChI KeyPTLRDCMBXHILCL-UHFFFAOYSA-M
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as metalloid oxides. These are inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen is a metalloid.
KingdomInorganic compounds
Super ClassMixed metal/non-metal compounds
ClassMetalloid organides
Sub ClassMetalloid oxides
Direct ParentMetalloid oxides
Alternative Parents
Substituents
  • Metalloid oxide
  • Inorganic sodium salt
  • Inorganic oxide
  • Inorganic salt
  • Inorganic metalloid salt
  • Inorganic arsenic compound
Molecular FrameworkNot Available
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginExogenous
Cellular Locations
  • Cytoplasm
  • Extracellular
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
Applications
Biological Roles
Chemical RolesNot Available
Physical Properties
StateSolid
AppearanceWhite or grey solid.
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
logP0.87ChemAxon
pKa (Strongest Basic)-5.9ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area26.3 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity2.79 m³·mol⁻¹ChemAxon
Polarizability5.72 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-001i-0900000000-71add308380e7e701243Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-001i-1900000000-40f87d1ea90011a227a0Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0a5c-5900000000-432f2b167baa1d6bfe47Spectrum
Toxicity Profile
Route of ExposureOral (4) ; inhalation (4) ; dermal (4)
Mechanism of ToxicityArsenic and its metabolites disrupt ATP production through several mechanisms. At the level of the citric acid cycle, arsenic inhibits pyruvate dehydrogenase and by competing with phosphate it uncouples oxidative phosphorylation, thus inhibiting energy-linked reduction of NAD+, mitochondrial respiration, and ATP synthesis. Hydrogen peroxide production is also increased, which might form reactive oxygen species and oxidative stress. Arsenic's carginogenicity is influenced by the arsenical binding of tubulin, which results in aneuploidy, polyploidy and mitotic arrests. The binding of other arsenic protein targets may also cause altered DNA repair enzyme activity, altered DNA methylation patterns and cell proliferation. (10, 3)
MetabolismArsenic is absorbed mainly by inhalation or ingestion, as to a lesser extent, dermal exposure. It is then distributed throughout the body, where it is reduced into arsenite if necessary, then methylated into monomethylarsenic (MMA) and dimethylarsenic acid (DMA) by arsenite methyltransferase. Arsenic and its metabolites are primarily excreted in the urine. Arsenic is known to induce the metal-binding protein metallothionein, which decreases the toxic effects of arsenic and other metals by binding them and making them biologically inactive, as well as acting as an antioxidant. (5)
Toxicity ValuesLD50: 41 mg/kg (Oral, Rat) (11) LD50: 150 mg/kg (Dermal, Rat) (11) LD50: 1170 ug/kg (Intraperitoneal, Mouse) (11) LD50: 14 mg/kg (Intramuscular Mouse) (11) LD50: 7600 ug/kg (Intravenous, Rabbit) (11)
Lethal DoseNot Available
Carcinogenicity (IARC Classification)1, carcinogenic to humans. (8)
Uses/SourcesNot Available
Minimum Risk LevelAcute Oral: 0.005 mg/kg/day (7) Chronic Oral: 0.0003 mg/kg/day (7) Chronic Inhalation: 0.01 mg/m3 (7)
Health EffectsArsenic poisoning can lead to death from multi-system organ failure, probably from necrotic cell death, not apoptosis. Arsenic is also a known carcinogen, especially in skin, liver, bladder and lung cancers. (10, 5)
SymptomsExposure to lower levels of arsenic can cause nausea and vomiting, decreased production of red and white blood cells, abnormal heart rhythm, damage to blood vessels.
TreatmentArsenic poisoning can be treated by chelation therapy, using chelating agents such as dimercaprol, EDTA or DMSA. Charcoal tablets may also be used for less severe cases. In addition, maintaining a diet high in sulfur helps eliminate arsenic from the body. (5)
Concentrations
Not Available
DrugBank IDNot Available
HMDB IDNot Available
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDCPD0-1496
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkSodium_arsenite
Chemspider IDNot Available
ChEBI ID29678
PubChem Compound IDNot Available
Kegg Compound IDC11906
YMDB IDNot Available
ECMDB IDECMDB20507
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. https://www.ncbi.nlm.nih.gov/pubmed/?term=17070520
2. https://www.ncbi.nlm.nih.gov/pubmed/?term=19131511
3. https://www.ncbi.nlm.nih.gov/pubmed/?term=20423156
4. https://www.ncbi.nlm.nih.gov/pubmed/?term=20598115
5. https://www.ncbi.nlm.nih.gov/pubmed/?term=23194016
6. https://www.ncbi.nlm.nih.gov/pubmed/?term=23694735
7. https://www.ncbi.nlm.nih.gov/pubmed/?term=24004876
8. https://www.ncbi.nlm.nih.gov/pubmed/?term=24100277
9. https://www.ncbi.nlm.nih.gov/pubmed/?term=24519527
10. https://www.ncbi.nlm.nih.gov/pubmed/?term=9580875
11. https://www.ncbi.nlm.nih.gov/pubmed/?term=9649501