beta Endosulfan
SmallMolecule
T3DB_ID
T3D0067
描述
Endosulfan, beta is one of two stereoisomers of endosulfan. Endosulfan is an organochlorine insecticide and acaricide. It is used to control insects on food and non-food crops and 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
"Alpha-thionex", "b Endosulfan", "b-endosulfan", "B-endosulfan-beta", "b-thiodan", "Beta-benzoepin", "Beta-endosulfan", "Beta-thiodan", "Endosulfan 2", "Endosulfan b", "Endosulfan, beta", "Endosulfan-b", "β Endosulfan"
CAS登记号
33213-65-9
化学式
C9H6Cl6O3S
平均分子量
406.925
单同位素质量
403.81688099
IUPAC 名称
(1R,9S)-1,9,10,11,12,12-hexachloro-4,6-dioxa-5λ⁴-thiatricyclo[7.2.1.0²,⁸]dodec-10-en-5-one
传统名称
(1R,9S)-1,9,10,11,12,12-hexachloro-4,6-dioxa-5λ⁴-thiatricyclo[7.2.1.0²,⁸]dodec-10-en-5-one
简化分子线性输入规范
ClC1=C(Cl)[C@]2(Cl)C3COS(=O)OCC3[C@@]1(Cl)C2(Cl)Cl
InChI 标识符
InChI=1/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2/t3?,4?,7-,8+,19?
InChIKey=RDYMFSUJUZBWLH-QTSFFCDANA-N
化合物类型
Organic compounds
大分类
Organic oxygen compounds
类型
Organic oxoanionic compounds
子类
Organic sulfites
直接大类
Sulfite esters
另外分类
"Alkyl chlorides", "Chloroalkenes", "Hydrocarbon derivatives", "Organic oxides", "Organochlorides", "Organooxygen compounds", "Oxacyclic compounds", "Vinyl chlorides"
取代基
"Aliphatic heteropolycyclic compound", "Alkyl chloride", "Alkyl halide", "Chloroalkene", "Haloalkene", "Hydrocarbon derivative", "Organic oxide", "Organochloride", "Organohalogen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle", "Sulfite ester", "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
"Actin Cytoskeleton", "Cell junction", "Cytoskeleton", "Cytosol", "Endoplasmic reticulum", "Extracellular", "Lysosome", "Membrane", "Membrane Fraction", "Microsome", "Mitochondrial Matrix", "Nucleolus", "Peroxisome", "Plasma Membrane", "Ribosome", "Sarcoplasmic Reticulum", "Secretory vesicle"
生物流体位置
组织位置
途径
"Apoptosis", "Proteasome", "Oxidative phosphorylation", "Ovarian Steroidogenesis", "Cell cycle", "Antiviral Agents"
状态
Solid
外貌
Cream- to brown-colored solid.
熔点/沸点/溶解度
106°C//0.00045 mg/mL at 20 °C [BOWMAN,BT & SANS,WW (1983)]; 0.000325 mg/mL at 22 °C [TOMLIN,C (1994)]
日志P
暴露途径
Oral (L114) ; inhalation (L114) ; dermal (L114)
毒性机制
Endosulfan 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 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 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 is absorbed by inhalation, oral, and dermal routes of exposure. It accumulates mainly in the liver, kidney, and brain, and is metabolized to polar and nonpolar metabolites by cytochrome P-450 enzymes. 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
LD50: 18 mg/kg (Oral, Rat) (T14) LD50: 34 mg/kg (Dermal, Rat) (T14) LD50: 8 mg/kg (Intraperitoneal, Rat) (T14) LD50: 360 mg/kg (Subcutaneous, Rabbit) (T14) LC50: 80 mg/m3 over 4 hours (Inhalation, Rat) (T14)
致死剂量
50 to 500 mg/kg for an adult human. (T27)
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
Intermediate Oral: 0.005 mg/kg/day (L134) Chronic Oral: 0.002 mg/kg/day (L134)
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
6434141
维基百科链接
创建于
2009-03-06 18:58:01 UTC
更新于
2014-12-24 20:21:01 UTC
目标
毒素T3DB ID毒素名称目标名称
T3D0067 beta Endosulfan Estradiol 17-beta-dehydrogenase 1
T3D0067 beta Endosulfan Cytochrome P450 3A5
T3D0067 beta Endosulfan Cytochrome P450 2C19
T3D0067 beta Endosulfan Oxysterols receptor LXR-beta
T3D0067 beta Endosulfan Bile salt sulfotransferase
T3D0067 beta Endosulfan Cytochrome P450 3A4
T3D0067 beta Endosulfan Cytochrome P450 2B6
T3D0067 beta Endosulfan Multidrug resistance protein 1
T3D0067 beta Endosulfan Retinoic acid receptor alpha
T3D0067 beta Endosulfan Nuclear receptor subfamily 1 group I member 2
T3D0067 beta Endosulfan Gamma-aminobutyric acid receptor subunit epsilon
T3D0067 beta Endosulfan Gamma-aminobutyric acid receptor subunit theta
T3D0067 beta Endosulfan Gamma-aminobutyric acid receptor subunit rho-3
T3D0067 beta Endosulfan Gamma-aminobutyric acid receptor subunit gamma-1
T3D0067 beta Endosulfan Estrogen receptor beta
T3D0067 beta Endosulfan Estrogen receptor alpha
T3D0067 beta Endosulfan Progesterone receptor
T3D0067 beta Endosulfan Sarcoplasmic/endoplasmic reticulum calcium ATPase 3
T3D0067 beta Endosulfan Sarcoplasmic/endoplasmic reticulum calcium ATPase 2
T3D0067 beta Endosulfan Sarcoplasmic/endoplasmic reticulum calcium ATPase 1
T3D0067 beta Endosulfan Plasma membrane calcium-transporting ATPase 4
T3D0067 beta Endosulfan Plasma membrane calcium-transporting ATPase 3
T3D0067 beta Endosulfan Plasma membrane calcium-transporting ATPase 2
T3D0067 beta Endosulfan Plasma membrane calcium-transporting ATPase 1
T3D0067 beta Endosulfan Calcium-transporting ATPase type 2C member 2
T3D0067 beta Endosulfan Calcium-transporting ATPase type 2C member 1
T3D0067 beta Endosulfan Sodium/potassium-transporting ATPase subunit gamma
T3D0067 beta Endosulfan Sodium/potassium-transporting ATPase subunit beta-3
T3D0067 beta Endosulfan Sodium/potassium-transporting ATPase subunit beta-2
T3D0067 beta Endosulfan Sodium/potassium-transporting ATPase subunit beta-1
T3D0067 beta Endosulfan Sodium/potassium-transporting ATPase subunit alpha-4
T3D0067 beta Endosulfan Sodium/potassium-transporting ATPase subunit alpha-3
T3D0067 beta Endosulfan Sodium/potassium-transporting ATPase subunit alpha-2
T3D0067 beta Endosulfan Sodium/potassium-transporting ATPase subunit alpha-1
T3D0067 beta Endosulfan Gamma-aminobutyric acid receptor subunit rho-2
T3D0067 beta Endosulfan Gamma-aminobutyric acid receptor subunit rho-1
T3D0067 beta Endosulfan Gamma-aminobutyric acid receptor subunit pi
T3D0067 beta Endosulfan Gamma-aminobutyric acid receptor subunit gamma-3
T3D0067 beta Endosulfan Gamma-aminobutyric acid receptor subunit gamma-2
T3D0067 beta Endosulfan Gamma-aminobutyric acid receptor subunit delta
T3D0067 beta Endosulfan Gamma-aminobutyric acid receptor subunit beta-3
T3D0067 beta Endosulfan Gamma-aminobutyric acid receptor subunit beta-2
T3D0067 beta Endosulfan Gamma-aminobutyric acid receptor subunit beta-1
T3D0067 beta Endosulfan Gamma-aminobutyric acid receptor subunit alpha-6
T3D0067 beta Endosulfan Gamma-aminobutyric acid receptor subunit alpha-5
T3D0067 beta Endosulfan Gamma-aminobutyric acid receptor subunit alpha-4
T3D0067 beta Endosulfan Gamma-aminobutyric acid receptor subunit alpha-3
T3D0067 beta Endosulfan Gamma-aminobutyric acid receptor subunit alpha-2
T3D0067 beta Endosulfan Gamma-aminobutyric acid receptor subunit alpha-1
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