POTASSIUM PERCHLORATE
General Information
| Mainterm | POTASSIUM PERCHLORATE |
| CAS Reg.No.(or other ID) | 7778-74-7 |
| Regnum |
177.1210 |
From www.fda.gov
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 516900 |
| IUPAC Name | potassium;perchlorate |
| InChI | InChI=1S/ClHO4.K/c2-1(3,4)5;/h(H,2,3,4,5);/q;+1/p-1 |
| InChI Key | YLMGFJXSLBMXHK-UHFFFAOYSA-M |
| Canonical SMILES | [O-]Cl(=O)(=O)=O.[K+] |
| Molecular Formula | KClO4 |
| Wikipedia | potassium perchlorate |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 138.544 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Complexity | 118.0 |
| CACTVS Substructure Key Fingerprint | A A A D c Q A A O A A E 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 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 Area | 74.3 |
| Monoisotopic Mass | 137.912 |
| Exact Mass | 137.912 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 6 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 2 |
From Pubchem
Toxicity Profile
| Route of Exposure | Inhalation ; oral ; dermal ; eye contact . |
|---|---|
| Mechanism of Toxicity | The primary and most sensitive target of the perchlorate anion (perchlorate) is the thyroid gland. Perchlorate inhibits the transport of iodide (I-) from the blood into the thyroid follicle cells. The inhibition is thought to be accomplished by perchlorate competitively blocking iodide binding to a carrier, or sodium/iodide symporter (NIS), which catalyzes the simultaneous transfer of Na+ and I-across the basolateral membrane of thyroid follicle cells. Perchlorate inhibition of the NIS can limit the availability of iodide needed for the production of the thyroid hormones thyroxine and triiodothyronine , which in turn, may affect the circulating levels of T4 and T3. All known effects of perchlorate on the thyroid hormone system derive directly or secondarily from the inhibition of the NIS. T3 is essential for normal development of the nervous system and for the regulation of metabolism of cells in nearly all tissues of the body. Disruption in the availability of T3 in target tissues can result in adverse effects on a wide variety of organs and systems . |
| Metabolism | There is no evidence that potasssium perchlorate is metabolized in the body. It is rapidly eliminated from the body through the urinary tract . |
| Toxicity Values | LD50: 3621 mg/kg (Oral, Mouse) |
| Lethal Dose | None |
| Carcinogenicity (IARC Classification) | No indication of carcinogenicity to humans (not listed by IARC). |
| Minimum Risk Level | Chronic Oral: 0.0007 mg/kg/day |
| Health Effects | Adverse effects on a wide variety of organ systems can result from disruption in the availability of T3 to target tissues. Organ systems affected by disturbances in T3 levels include the skin, cardiovascular system, pulmonary system, kidneys, gastrointestinal tract, liver, blood, neuromuscular system, central nervous system, skeleton, male and female reproductive systems, and numerous endocrine organs, including the pituitary and adrenal glands. Such an array of secondary potential targets underscores the need to maintain an adequate level of circulating thyroid hormones. Perchlorate, an environmental contaminant, is known to disturb the hypothalamus-pituitary-thyroid (HPT) axis by blocking iodide accumulation in the thyroid. Iodide deficiency can lead to hypothyroidism and goiter (L894, A267). |
| Treatment | In case of oral exposure, immediately dilute with 4 to 8 ounces (120 to 240 mol) of water or milk. Consider after ingestion of a potentially life-threatening amount of poison if it can be performed soon after ingestion (generally within 1 hour). Protect airway by placement in Trendelenburg and left lateral decubitus position or by endotracheal intubation. Control any seizures first. Maintain ventilation and oxygenation and evaluate with frequent arterial blood gas or pulse oximetry monitoring. Early use of PEEP and mechanical ventilation may be needed. Following inhalation, Move patient to fresh air. Monitor for respiratory distress. If cough or difficulty breathing develops, evaluate for respiratory tract irritation, bronchitis, or pneumonitis. Administer oxygen and assist ventilation as required. Treat bronchospasm with inhaled beta2 agonist and oral or parenteral corticosteroids. In case of acute lung injury, maintain ventilation and oxygenation and evaluate with frequent arterial blood gas or pulse oximetry monitoring. Following eye exposure, irrigate exposed eyes with copious amounts of room temperature water for at least 15 minutes. Following dermal exposure, remove contaminated clothing and wash exposed area thoroughly with soap and water. A physician may need to examine the area if irritation or pain persists. Treat dermal irritation or burns with standard topical therapy. Patients developing dermal hypersensitivity reactions may require treatment with systemic or topical corticosteroids or antihistamines. |
| Reference |
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From T3DB
Taxonomic Classification
| Kingdom | Inorganic compounds |
|---|---|
| Superclass | Mixed metal/non-metal compounds |
| Class | Alkali metal oxoanionic compounds |
| Subclass | Alkali metal perchlorates |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Alkali metal perchlorates |
| Alternative Parents | |
| Molecular Framework | Not available |
| Substituents | Alkali metal perchlorate - Inorganic oxide - Inorganic salt |
| Description | This compound belongs to the class of inorganic compounds known as alkali metal perchlorates. These are inorganic compounds in which the largest oxoanion is perchlorate, and in which the heaviest atom not in an oxoanion is an alkali metal. |
From ClassyFire
Targets
- General Function:
- Sodium:potassium-exchanging atpase activity
- Specific Function:
- Catalyzes the hydrolysis of ATP coupled with the exchange of H(+) and K(+) ions across the plasma membrane. Responsible for acid production in the stomach.
- Gene Name:
- ATP4A
- Uniprot ID:
- P20648
- Molecular Weight:
- 114117.74 Da
References
- Wikipedia. Arsenic pentasulfide. Last Updated 28 June 2009.: http://en.wikipedia.org/wiki/Arsenic_pentasulfide
- General Function:
- Sodium:potassium-exchanging atpase activity
- Specific Function:
- Catalyzes the hydrolysis of ATP coupled with the exchange of H(+) and K(+) ions across the plasma membrane. Responsible for potassium absorption in various tissues.
- Gene Name:
- ATP12A
- Uniprot ID:
- P54707
- Molecular Weight:
- 115509.45 Da
References
- Wikipedia. Arsenic pentasulfide. Last Updated 28 June 2009.: http://en.wikipedia.org/wiki/Arsenic_pentasulfide
- General Function:
- Hydrogen:potassium-exchanging atpase activity
- Specific Function:
- Required for stabilization and maturation of the catalytic proton pump alpha subunit and may also involved in cell adhesion and establishing epithelial cell polarity.
- Gene Name:
- ATP4B
- Uniprot ID:
- P51164
- Molecular Weight:
- 33366.95 Da
References
- Wikipedia. Arsenic pentasulfide. Last Updated 28 June 2009.: http://en.wikipedia.org/wiki/Arsenic_pentasulfide
- General Function:
- Sodium:iodide symporter activity
- Specific Function:
- Mediates iodide uptake in the thyroid gland.
- Gene Name:
- SLC5A5
- Uniprot ID:
- Q92911
- Molecular Weight:
- 68665.63 Da
References
- MacAllister IE, Jakoby MG 4th, Geryk B, Schneider RL, Cropek DM: Use of the thyrocyte sodium iodide symporter as the basis for a perchlorate cell-based assay. Analyst. 2009 Feb;134(2):320-4. doi: 10.1039/b802710b. Epub 2008 Oct 30. [19173056 ]
- General Function:
- Temperature-gated cation channel activity
- Specific Function:
- Receptor-activated non-selective cation channel involved in detection of pain and possibly also in cold perception and inner ear function (PubMed:25389312, PubMed:25855297). Has a central role in the pain response to endogenous inflammatory mediators and to a diverse array of volatile irritants, such as mustard oil, cinnamaldehyde, garlic and acrolein, an irritant from tears gas and vehicule exhaust fumes (PubMed:25389312, PubMed:20547126). Is also activated by menthol (in vitro)(PubMed:25389312). Acts also as a ionotropic cannabinoid receptor by being activated by delta(9)-tetrahydrocannabinol (THC), the psychoactive component of marijuana (PubMed:25389312). May be a component for the mechanosensitive transduction channel of hair cells in inner ear, thereby participating in the perception of sounds. Probably operated by a phosphatidylinositol second messenger system (By similarity).
- Gene Name:
- TRPA1
- Uniprot ID:
- O75762
- Molecular Weight:
- 127499.88 Da
References
- Nilius B, Prenen J, Owsianik G: Irritating channels: the case of TRPA1. J Physiol. 2011 Apr 1;589(Pt 7):1543-9. doi: 10.1113/jphysiol.2010.200717. Epub 2010 Nov 15. [21078588 ]
From T3DB