Endosulfan sulfate
SmallMolecule
T3DB_ID
T3D0055
描述
Endosulfan sulfate is one of the primary metabolites of endosulfan. Endosulfan is a organochlorine insecticide and acaricide. It is used to control insects on food and non-food crops and also as a wood preservative. Due to its toxicity and tendency to bioaccumulate, the use of endosulfan is banned in many areas. (L113)
类别
"Pesticide", "Pollutant", "Food Toxin", "Synthetic Toxin"
同义词
"Endosulfan sulfate solution", "Endosulfan sulfic acid", "Endosulfan sulphate", "Endosulfan sulphic acid", "Endosulphan sulphate", "Thiodan sulfate"
CAS登记号
1031-07-8
化学式
C9H6Cl6O4S
平均分子量
422.925
单同位素质量
419.811795612
IUPAC 名称
1,9,10,11,12,12-hexachloro-4,6-dioxa-5lambda6-thiatricyclo[7.2.1.0^{2,8}]dodec-10-ene-5,5-dione
传统名称
1,9,10,11,12,12-hexachloro-4,6-dioxa-5lambda6-thiatricyclo[7.2.1.0^{2,8}]dodec-10-ene-5,5-dione
简化分子线性输入规范
ClC1=C(Cl)C2(Cl)C3COS(=O)(=O)OCC3C1(Cl)C2(Cl)Cl
InChI 标识符
InChI=1S/C9H6Cl6O4S/c10-5-6(11)8(13)4-2-19-20(16,17)18-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2
InChIKey=AAPVQEMYVNZIOO-UHFFFAOYSA-N
化合物类型
Organic compounds
大分类
Organic acids and derivatives
类型
Organic sulfuric acids and derivatives
子类
Sulfuric acid esters
直接大类
Sulfuric acid diesters
另外分类
"Alkyl chlorides", "Alkyl sulfates", "Chloroalkenes", "Hydrocarbon derivatives", "Organic oxides", "Organochlorides", "Organooxygen compounds", "Oxacyclic compounds", "Vinyl chlorides"
取代基
"Aliphatic heteropolycyclic compound", "Alkyl chloride", "Alkyl halide", "Alkyl sulfate", "Chloroalkene", "Haloalkene", "Hydrocarbon derivative", "Organic oxide", "Organic oxygen compound", "Organochloride", "Organohalogen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle", "Sulfuric acid diester", "Vinyl chloride", "Vinyl halide"
分子框架
Aliphatic heteropolycyclic compounds
外部描述符
""
地位
Detected and Not Quantified
起源
Exogenous
蜂窝位置
"Membrane"
生物流体位置
组织位置
途径
状态
Solid
外貌
White powder.
熔点/沸点/溶解度
181-182°C//0.00048 mg/mL at 20 °C [SHIU,WY et al. (1990)]
日志P
暴露途径
Oral (L114) ; inhalation (L114) ; dermal (L114)
毒性机制
Endosulfan sulfate antagonizes the action of the neurotransmitter gamma-aminobutyric acid (GABA) acting at the GABA-A receptors, effectively blocking the GABA-induced uptake of chloride ions. Endosulfan sulfate also inhibits Na+ K+ ATPase and Ca2+ and Mg2+ ATPase which are essential for the transport of calcium across membranes. This results in the accumulation of intracellular free calcium ions, which promotes release of neurotransmitters from storage vesicles, the subsequent depolarization of adjacent neurons, and the propagation of stimuli throughout the CNS. This results in hyperexcitation and generalized seizures. Endosulfan sulfate is also an endocrine disruptor and acts as an agonist at the progesterone receptor and estrogen receptors. (T10, L113, L114, A61, A114)
代谢
Endosulfan and its metabolites, which include sulfate, diol, α-hydroxyether, lactone, and ether derivatives of endosulfan, are excreted in the urine and faeces. (L114)
毒性值
致死剂量
致癌性
No indication of carcinogenicity to humans (not listed by IARC).
用途/来源
Endosulfan is used as an insecticide, acaricide, and in wood preservatives. (L114)
最低风险等级
健康影响
Endosulfan is a neurotoxin and damages the central nervous system, causing effects such as intermittent muscle twitching and myoclonic jerking. Endosulfan can also damage the kidneys, testes, and liver, and may possibly affect the body's ability to fight infection. It is also an endocrine disruptor and causes reproductive and developmental damage. (T10, L113, L114)
症状
Symptoms of endosulfan poisoning include hyperactivity, hyperreflexia, tremors, dizziness, headache, convulsions, lack of coordination, staggering, difficulty breathing, nausea and vomiting, diarrhea, and in severe cases, unconsciousness. (T10, L113, L114)
治疗
Treatment is symptomatic, aimed at controlling convulsions, coma, and respiratory depression. If ingested, gastric lavage may be performed, followed by administering activated charcoal powder. (L161)
药库 ID
HMDB_ID
PubChem 化合物 ID
13940
维基百科链接
http://en.wikipedia.org/wiki/Endosulfan sulfate
创建于
2009-03-06 18:58:00 UTC
更新于
2014-12-24 20:20:59 UTC
目标
毒素T3DB ID毒素名称目标名称
T3D0055 Endosulfan sulfate Nuclear receptor subfamily 1 group I member 2
T3D0055 Endosulfan sulfate Oxysterols receptor LXR-beta
T3D0055 Endosulfan sulfate Interferon regulatory factor 1
T3D0055 Endosulfan sulfate Gamma-aminobutyric acid receptor subunit theta
T3D0055 Endosulfan sulfate Gamma-aminobutyric acid receptor subunit rho-3
T3D0055 Endosulfan sulfate Gamma-aminobutyric acid receptor subunit gamma-1
T3D0055 Endosulfan sulfate Gamma-aminobutyric acid receptor subunit epsilon
T3D0055 Endosulfan sulfate Estrogen receptor beta
T3D0055 Endosulfan sulfate Estrogen receptor alpha
T3D0055 Endosulfan sulfate Progesterone receptor
T3D0055 Endosulfan sulfate Sarcoplasmic/endoplasmic reticulum calcium ATPase 3
T3D0055 Endosulfan sulfate Sarcoplasmic/endoplasmic reticulum calcium ATPase 2
T3D0055 Endosulfan sulfate Sarcoplasmic/endoplasmic reticulum calcium ATPase 1
T3D0055 Endosulfan sulfate Plasma membrane calcium-transporting ATPase 4
T3D0055 Endosulfan sulfate Plasma membrane calcium-transporting ATPase 3
T3D0055 Endosulfan sulfate Plasma membrane calcium-transporting ATPase 2
T3D0055 Endosulfan sulfate Plasma membrane calcium-transporting ATPase 1
T3D0055 Endosulfan sulfate Calcium-transporting ATPase type 2C member 2
T3D0055 Endosulfan sulfate Calcium-transporting ATPase type 2C member 1
T3D0055 Endosulfan sulfate Sodium/potassium-transporting ATPase subunit gamma
T3D0055 Endosulfan sulfate Sodium/potassium-transporting ATPase subunit beta-3
T3D0055 Endosulfan sulfate Sodium/potassium-transporting ATPase subunit beta-2
T3D0055 Endosulfan sulfate Sodium/potassium-transporting ATPase subunit beta-1
T3D0055 Endosulfan sulfate Sodium/potassium-transporting ATPase subunit alpha-4
T3D0055 Endosulfan sulfate Sodium/potassium-transporting ATPase subunit alpha-3
T3D0055 Endosulfan sulfate Sodium/potassium-transporting ATPase subunit alpha-2
T3D0055 Endosulfan sulfate Sodium/potassium-transporting ATPase subunit alpha-1
T3D0055 Endosulfan sulfate Gamma-aminobutyric acid receptor subunit rho-2
T3D0055 Endosulfan sulfate Gamma-aminobutyric acid receptor subunit rho-1
T3D0055 Endosulfan sulfate Gamma-aminobutyric acid receptor subunit pi
T3D0055 Endosulfan sulfate Gamma-aminobutyric acid receptor subunit gamma-3
T3D0055 Endosulfan sulfate Gamma-aminobutyric acid receptor subunit gamma-2
T3D0055 Endosulfan sulfate Gamma-aminobutyric acid receptor subunit delta
T3D0055 Endosulfan sulfate Gamma-aminobutyric acid receptor subunit beta-3
T3D0055 Endosulfan sulfate Gamma-aminobutyric acid receptor subunit beta-2
T3D0055 Endosulfan sulfate Gamma-aminobutyric acid receptor subunit beta-1
T3D0055 Endosulfan sulfate Gamma-aminobutyric acid receptor subunit alpha-6
T3D0055 Endosulfan sulfate Gamma-aminobutyric acid receptor subunit alpha-5
T3D0055 Endosulfan sulfate Gamma-aminobutyric acid receptor subunit alpha-4
T3D0055 Endosulfan sulfate Gamma-aminobutyric acid receptor subunit alpha-3
T3D0055 Endosulfan sulfate Gamma-aminobutyric acid receptor subunit alpha-2
T3D0055 Endosulfan sulfate Gamma-aminobutyric acid receptor subunit alpha-1
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