| Record Information |
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| Version | 2.0 |
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| Creation Date | 2009-08-05 16:26:00 UTC |
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| Update Date | 2014-12-24 20:26:09 UTC |
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| Accession Number | T3D3554 |
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| Identification |
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| Common Name | Calcium nitrate |
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| Class | Small Molecule |
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| Description | Calcium nitrate is a nitrate of calcium. It is mainly used as a component in fertilizers. Nitrite is a toxic compound known to cause methemoglobinemia. (5, 7) |
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| Compound Type | - Fertilizer
- Food Toxin
- Household Toxin
- Inorganic Compound
- Nitrate
- Nitrite
- Synthetic Compound
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| Chemical Structure | |
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| Synonyms | | Synonym | | Anhydrous calcium nitrate | | Calcium dinitrate | | Calcium nitrate solution | | Calcium nitric acid | | Calcium saltpeter | | Calcium standard for aas | | Calcium(II) nitrate (1:2) | | Lime nitrate | | Lime saltpeter | | Nitric acid, calcium salt | | Nitrocalcite | | Norge saltpeter | | Norway saltpeter | | Norwegian saltpeter | | Saltpeter | | Synfat 1006 |
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| Chemical Formula | CaN2O6 |
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| Average Molecular Mass | 164.088 g/mol |
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| Monoisotopic Mass | 163.938 g/mol |
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| CAS Registry Number | 10124-37-5 |
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| IUPAC Name | calcium dinitrate |
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| Traditional Name | calcium dinitrate |
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| SMILES | [Ca++].[O-][N+]([O-])=O.[O-][N+]([O-])=O |
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| InChI Identifier | InChI=1S/Ca.2NO3/c;2*2-1(3)4/q+2;2*-1 |
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| InChI Key | InChIKey=ZCCIPPOKBCJFDN-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of inorganic compounds known as alkaline earth metal nitrates. These are inorganic compounds in which the largest oxoanion is nitrate, and in which the heaviest atom not in an oxoanion is an alkaline earth metal. |
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| Kingdom | Inorganic compounds |
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| Super Class | Mixed metal/non-metal compounds |
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| Class | Alkaline earth metal oxoanionic compounds |
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| Sub Class | Alkaline earth metal nitrates |
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| Direct Parent | Alkaline earth metal nitrates |
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| Alternative Parents | |
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| Substituents | - Alkaline earth metal nitrate
- Inorganic calcium salt
- Inorganic oxide
- Inorganic salt
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| Molecular Framework | Not Available |
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| External Descriptors | |
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| Biological Properties |
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| Status | Detected and Not Quantified |
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| Origin | Exogenous |
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| Cellular Locations | |
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| Biofluid Locations | Not Available |
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| Tissue Locations | Not Available |
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| Pathways | Not Available |
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| Applications | Not Available |
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| Biological Roles | Not Available |
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| Chemical Roles | Not Available |
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| Physical Properties |
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| State | Solid |
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| Appearance | Colorless crystals. |
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| Experimental Properties | | Property | Value |
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| Melting Point | Not Available | | Boiling Point | Not Available | | Solubility | Not Available | | LogP | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | Not Available |
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| Toxicity Profile |
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| Route of Exposure | Oral (5) ; inhalation (5) |
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| Mechanism of Toxicity | Nitrate's toxicity is a result of it's conversion to nitrite once in the body. Nitrite 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. (2, 6) |
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| Metabolism | Intake of some amount of nitrates and nitrites is a normal part of the nitrogen cycle in humans. In vivo conversion of nitrates to nitrites can occur in the gastrointestional tract under the right conditions, significantly enhancing nitrates' toxic potency. The major metabolic pathway for nitrate is conversion to nitrite, and then to ammonia. Nitrites, nitrates, and their metabolites are excreted in the urine. (5) |
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| Toxicity Values | LD50: 302 mg/kg (Oral, Rat) (3) |
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| Lethal Dose | Not Available |
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| Carcinogenicity (IARC Classification) | Ingested nitrate or nitrite under conditions that result in endogenous nitrosation is probably carcinogenic to humans (Group 2A). (4) |
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| Uses/Sources | Not Available |
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| Minimum Risk Level | Not Available |
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| Health Effects | Nitrate and nitrite poisoning causes methemoglobinemia. Nitrites may cause pregnancy complications and developmental effects. They may also be carcinogenic. (5) |
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| Symptoms | Nitrate and nitrite poisoning causes methemoglobinemia. Symptoms include cyanosis, cardiac dysrhythmias and circulatory failure, and progressive central nervous system (CNS) effects. CNS effects can range from mild dizziness and lethargy to coma and convulsions. (5) |
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| Treatment | Methemoglobinemia 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. (6) |
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| Normal Concentrations |
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| Not Available |
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| Abnormal Concentrations |
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| Not Available |
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| External Links |
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| DrugBank ID | Not Available |
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| HMDB ID | Not Available |
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| PubChem Compound ID | 24963 |
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| ChEMBL ID | Not Available |
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| ChemSpider ID | 23336 |
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| KEGG ID | Not Available |
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| UniProt ID | Not Available |
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| OMIM ID | |
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| ChEBI ID | 64205 |
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| BioCyc ID | Not Available |
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| CTD ID | Not Available |
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| Stitch ID | Calcium nitrate |
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| PDB ID | Not Available |
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| ACToR ID | 12396 |
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| Wikipedia Link | Calcium_nitrate |
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| References |
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| Synthesis Reference | Not Available |
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| MSDS | T3D3554.pdf |
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| General References | - Buckler HM, Smith WD, Rees WD: Self poisoning with oral cadmium chloride. Br Med J (Clin Res Ed). 1986 Jun 14;292(6535):1559-60. [3087515 ]
- 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 ]
- Lewis RJ (1996). Sax's Dangerous Properties of Industrial Materials. 9th ed. Volumes 1-3. New York, NY: Van Nostrand Reinhold.
- International Agency for Research on Cancer (2014). IARC Monographs on the Evaluation of Carcinogenic Risks to Humans. [Link]
- ATSDR - Agency for Toxic Substances and Disease Registry (2007). Case Studies in Environmental Medicine. Nitrate/Nitrite Toxicity. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). [Link]
- Wikipedia. Methemoglobinemia. Last Updated 22 July 2009. [Link]
- Wikipedia. Calcium nitrate. Last Updated 28 May 2009. [Link]
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| Gene Regulation |
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| Up-Regulated Genes | Not Available |
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| Down-Regulated Genes | Not Available |
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