<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">1107</id>
  <title>T3D1103</title>
  <common-name>Barium cyanide</common-name>
  <description>Barium cyanide is a chemical compound of barium and cyanide. Barium is a metallic alkaline earth metal with the symbol Ba, and atomic number 56. It never occurs in nature in its pure form due to its reactivity with air, but combines with other chemicals such as sulfur or carbon and oxygen to form barium compounds that may be found as minerals. (L214, 408)</description>
  <cas>542-62-1</cas>
  <pubchem-id>6093184</pubchem-id>
  <chemical-formula>C2BaN2</chemical-formula>
  <weight>189.911390</weight>
  <appearance>White powder.</appearance>
  <melting-point>600°C</melting-point>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility></solubility>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure>Oral (L96) ; inhalation (L96) ; dermal (L96)</route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity>Barium is a competitive potassium channel antagonist that blocks the passive efflux of intracellular potassium, resulting in a shift of potassium from extracellular to intracellular compartments. The intracellular translocation of potassium results in a decreased resting membrane potential, making the muscle fibers electrically unexcitable and causing paralysis. Some of these barium's effects may also be due to barium induced neuromuscular blockade and membrane depolarization. Cyanide is an inhibitor of cytochrome c oxidase in the fourth complex of the electron transport chain (found in the membrane of the mitochondria of eukaryotic cells). It complexes with the ferric iron atom in this enzyme. The binding of cyanide to this cytochrome prevents transport of electrons from cytochrome c oxidase to oxygen. As a result, the electron transport chain is disrupted and the cell can no longer aerobically produce ATP for energy. Tissues that mainly depend on aerobic respiration, such as the central nervous system and the heart, are particularly affected. Cyanide is also known produce some of its toxic effects by binding to catalase, glutathione peroxidase, methemoglobin, hydroxocobalamin, phosphatase, tyrosinase, ascorbic acid oxidase, xanthine oxidase, succinic dehydrogenase, and Cu/Zn superoxide dismutase. Cyanide binds to the ferric ion of methemoglobin to form inactive cyanmethemoglobin. (L97, L214)</mechanism-of-toxicity>
  <metabolism>Barium compounds are absorbed via ingestion and inhalation, the extent of which depends on the individual compound. In the body, the majority of the barium is found in the bone, while small amounts exists in the muscle, adipose, skin, and connective tissue. Barium is not metabolized in the body, but it may be transported or incorporated into complexes or tissues. Barium is excreted in the urine and faeces. Cyanide is rapidly alsorbed through oral, inhalation, and dermal routes and distributed throughout the body. Cyanide is mainly metabolized into thiocyanate by either rhodanese or 3-mercaptopyruvate sulfur transferase. Cyanide metabolites are excreted in the urine. (L96, L214)</metabolism>
  <toxicity nil="true"/>
  <lethaldose>1 to 15 grams for an adult human (barium salts). (T48)</lethaldose>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source nil="true"/>
  <min-risk-level>Intermediate Oral: 0.2 mg/kg/day (Barium) (L134) Chronic Oral: 0.2 mg/kg/day (Barium) (L134)
Acute Inhalation: 0.00003 mg/m3 (Cadmium) (L134) 
Chronic Inhalation: 0.00001 mg/m3 (Cadmium) (L134) 
Intermediate Oral: 0.0005 mg/kg/day (Cadmium) (L134) 
Chronic Oral: 0.0001 mg/kg/day (Cadmium) (L134)</min-risk-level>
  <health-effects>The health effects of the different barium compounds depend on how well the compound dissolves in water or the stomach contents. At low doses, barium acts as a muscle stimulant, while higher doses affect the nervous system, causing cardiac irregularities, tremors, weakness, anxiety, dyspnea, paralysisand possibly death. Barium may also cause gastrointestinal disturbances, damage the kidneys and cause decreases in body weight. Exposure to high levels of cyanide for a short time harms the brain and heart and can even cause coma, seizures, apnea, cardiac arrest and death. Chronic inhalation of cyanide causes breathing difficulties, chest pain, vomiting, blood changes, headaches, and enlargement of the thyroid gland. Skin contact with cyanide salts can irritate and produce sores. (L96, L97, L214)</health-effects>
  <symptoms>Ingesting excess barium may cause vomiting, abdominal cramps, diarrhea, difficulties in breathing, increased or decreased blood pressure, numbness around the face, and muscle weakness. High levels may result in changes in heart rhythm or paralysis and possibly death. Cyanide poisoning is identified by rapid, deep breathing and shortness of breath, general weakness, giddiness, headaches, vertigo, confusion, convulsions/seizures and eventually loss of consciousness. (L96, L97, L214)</symptoms>
  <treatment>Intravenous infusion of potassium often relieves many of the symptoms of barium toxicity. Antidotes to cyanide poisoning include hydroxocobalamin and sodium nitrite, which release the cyanide from the cytochrome system, and rhodanase, which is an enzyme occurring naturally in mammals that combines serum cyanide with thiosulfate, producing comparatively harmless thiocyanate. Oxygen therapy can also be administered. (L97, L214)</treatment>
  <created-at type="dateTime">2009-06-19T21:58:18Z</created-at>
  <updated-at type="dateTime">2026-04-05T17:54:57Z</updated-at>
  <interacting-proteins>Thiosulfate sulfurtransferase (Q16762) 3-mercaptopyruvate sulfurtransferase (P25325) (L96)</interacting-proteins>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id></kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id></chebi-id>
  <biocyc-id></biocyc-id>
  <ctd-id nil="true"/>
  <stitch-id>Barium cyanide</stitch-id>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id>6374</actor-id>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins>Thiosulfate sulfurtransferase (Q16762) 
3-mercaptopyruvate sulfurtransferase (P25325) 
(L96)</metabolizing-proteins>
  <transporting-proteins nil="true"/>
  <moldb-smiles>[Ba++].[C-]#N.[C-]#N</moldb-smiles>
  <moldb-formula>C2BaN2</moldb-formula>
  <moldb-inchi>InChI=1S/2CN.Ba/c2*1-2;/q2*-1;+2</moldb-inchi>
  <moldb-inchikey>UNLSXXHOHZUADN-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">189.362</moldb-average-mass>
  <moldb-mono-mass type="decimal">189.911389283</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference></synthesis-reference>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM000943</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00080281</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>23.79</moldb-polar-surface-area>
  <moldb-refractivity>15.814900000000002</moldb-refractivity>
  <moldb-polarizability>2.068129546361004</moldb-polarizability>
  <moldb-rotatable-bond-count>0</moldb-rotatable-bond-count>
  <moldb-acceptor-count>1</moldb-acceptor-count>
  <moldb-donor-count>0</moldb-donor-count>
  <moldb-pka-strongest-acidic>9.499999999999998</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>0</moldb-number-of-rings>
  <moldb-alogps-logp>-0.48</moldb-alogps-logp>
  <moldb-alogps-logs>-0.76</moldb-alogps-logs>
  <moldb-alogps-solubility>3.32e+01 g/l</moldb-alogps-solubility>
</compound>
