<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">1101</id>
  <title>T3D1097</title>
  <common-name>Barium cadmium stearate</common-name>
  <description>Barium cadmium stearate is a chemical compound of barium and cadmium. 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. Cadmium is a transition metal and chemical element with the symbol Cd and atomic number 48. It is found naturally in the earth's crust, though rarely on it's own. (L6, L214, 408)</description>
  <cas>1191-79-3</cas>
  <pubchem-id>6336539</pubchem-id>
  <chemical-formula>C72H148BaCaO8</chemical-formula>
  <weight>1314.953950</weight>
  <appearance>White powder.</appearance>
  <melting-point></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 (L6) ; inhalation (L6) ; dermal (L6)</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. Cadmium initially binds to metallothionein and is transported to the kidney. Toxic effects are observed once the concentration of cadmium exceeds that of available metallothionein, and it has also been shown that the cadmium-metallothionein complex may be damaging. Accumulation of cadmium in the kidney results in increased excretion of vital low and high weight molecular proteins. Cadmium is a high affinity zinc analog and can interfere in its biological processes. It also binds to and activates the estrogen receptor, likely stimulating the growth of certain types of cancer cells and causing other estrogenic effects, such as reproductive dysfunction. Cadmium causes cell apoptosis by activating mitogen-activated protein kinases. (L8, A18, A19, A28, 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. Cadmium is absorbed from oral, inhalation, and dermal routes. Cadmium initially binds to metallothionein and albumin and is transported mainly to the kidney and liver. Toxic effects are observed once the concentration of cadmium exceeds that of available metallothionein, and it has also been shown that the cadmium-metallothionein complex may be damaging. Cadmium is not known to undergo any direct metabolic conversion and is excreted unchanged, mainly in the urine. (L6, L214)</metabolism>
  <toxicity nil="true"/>
  <lethaldose>1 to 15 grams for an adult human (barium salts). (T48)</lethaldose>
  <carcinogenicity>1, carcinogenic to humans. (L135)</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. Chronic exposure to cadmium fumes can cause chemical pneumonitis, pulmonary edema, and lung diseases such as bronchitis and emphysema. Cadmium also accumulates in the kidneys, causing permanent damage. Loss of bone density also occurs. (L6, 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. Acute inhalation of cadmium fumes results in metal fume fever, which is characterized by chills, fever, headache, weakness, dryness of the nose and throat, chest pain, and coughing. Ingestion of cadmium causes vomiting and diarrhea. (L6, L214 )</symptoms>
  <treatment>Intravenous infusion of potassium often relieves many of the symptoms of barium toxicity. Cadmium poisoning is treated by removal from exposure and supportive care. If ingested, induced vomiting or gastric lavage may be performed. (L139, L214)</treatment>
  <created-at type="dateTime">2009-06-19T21:58:18Z</created-at>
  <updated-at type="dateTime">2014-12-24T20:23:08Z</updated-at>
  <interacting-proteins>Metallothionein-2 (P02795) Metallothionein-1G (P13640) Metallothionein-1H (P80294) Metallothionein-3 (P25713) Metallothionein-1F (P04733) Metallothionein-1E (P04732) Metallothionein-1X (P80297) Metallothionein-1A (P04731) Metallothionein-1B (P07438) Metallothionein-1M (Q8N339) Metallothionein-4 (P47944) Metallothionein-1L (Q93083) Serum albumin (P02768) (L6, L92)</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 cadmium stearate</stitch-id>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins>Metallothionein-2 (P02795) 
Metallothionein-1G (P13640) 
Metallothionein-1H (P80294) 
Metallothionein-3 (P25713) 
Metallothionein-1F (P04733) 
Metallothionein-1E (P04732) 
Metallothionein-1X (P80297) 
Metallothionein-1A (P04731) 
Metallothionein-1B (P07438) 
Metallothionein-1M (Q8N339) 
Metallothionein-4 (P47944) 
Metallothionein-1L (Q93083) 
Serum albumin (P02768) 
(L6, L92)</transporting-proteins>
  <moldb-smiles>[CaH2].[BaH2].CCCCCCCCCCCCCCCCCC(O)=O.CCCCCCCCCCCCCCCCCC(O)=O.CCCCCCCCCCCCCCCCCC(O)=O.CCCCCCCCCCCCCCCCCC(O)=O</moldb-smiles>
  <moldb-formula>C72H148BaCaO8</moldb-formula>
  <moldb-inchi>InChI=1S/4C18H36O2.Ba.Ca.4H/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;;;;/h4*2-17H2,1H3,(H,19,20);;;;;;</moldb-inchi>
  <moldb-inchikey>InChIKey=YSVUBLFZIOGXCN-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">1319.346</moldb-average-mass>
  <moldb-mono-mass type="decimal">1318.98525414</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"/>
</compound>
