Endrin
SmallMolecule
T3DB_ID
T3D0041
描述
Endrin has been found as a contaminant throughout the environment, including foodstuffs, fish, human milk, etc. Endrin belongs to the family of Benzoxepines. These are organic compounds containing a benzene ring fused to an oxepine ring (unsaturated seven-member heterocycle with one oxygen atom replacing a carbon atom.).
类别
"Pesticide", "Pollutant", "Food Toxin", "Synthetic Toxin"
同义词
"3,4,5,6,9,9-Hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaph[2,3-b]oxirene", "Endrex", "Endricol", "Endrine", "Hexachloroepoxyoctahydro-endo, endo-dimethanonaphthalene", "Hexachloroepoxyoctahydro-endo,endo-dimethanonaphthalene", "Hexachloroepoxyoctahydro-endo,endo-dimethanonapthalene", "Hexadrin", "Latka 269", "Mendrin", "Nendrin", "Oktanex", "Stardrin", "Stardrin 20"
CAS登记号
72-20-8
化学式
C12H8Cl6O
平均分子量
380.909
单同位素质量
377.87063112
IUPAC 名称
3,4,5,6,13,13-hexachloro-10-oxapentacyclo[6.3.1.1³,⁶.0²,⁷.0⁹,¹¹]tridec-4-ene
传统名称
endrin
简化分子线性输入规范
ClC1=C(Cl)C2(Cl)C3C4CC(C5OC45)C3C1(Cl)C2(Cl)Cl
InChI 标识符
InChI=1/C12H8Cl6O/c13-8-9(14)11(16)5-3-1-2(6-7(3)19-6)4(5)10(8,15)12(11,17)18/h2-7H,1H2
InChIKey=DFBKLUNHFCTMDC-UHFFFAOYNA-N
化合物类型
Organic compounds
大分类
Lipids and lipid-like molecules
类型
Prenol lipids
子类
Monoterpenoids
直接大类
Monoterpenoids
另外分类
"Alkyl chlorides", "Chloroalkenes", "Dialkyl ethers", "Epoxides", "Hydrocarbon derivatives", "Organochlorides", "Oxacyclic compounds", "Oxanes", "Oxepanes", "Vinyl chlorides"
取代基
"Aliphatic heteropolycyclic compound", "Alkyl chloride", "Alkyl halide", "Chloroalkene", "Dialkyl ether", "Ether", "Haloalkene", "Hydrocarbon derivative", "Monoterpenoid", "Norbornane monoterpenoid", "Organic oxygen compound", "Organochloride", "Organohalogen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle", "Oxane", "Oxepane", "Oxirane", "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
226 - 230°C//0.00025 mg/mL at 25°C
日志P
5.2
暴露途径
Oral (L111)
毒性机制
Endrin 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 and causing hyperexcitability of the central nervous system. Endrin 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 central nervous system. Endrin also causes increased lipid peroxidation, decreased membrane fluidity, and DNA damage in hepatocytes, but the exact mechanism is unknown. (T10, L112)
代谢
Endrin is absorbed orally and distributed primarily to the fat and skin. The major biotransformation product is anti-l 2-hydroxyendrin and the corresponding sulfate, as well as glucuronide metabolites. Anti- and syn-12-hydroxyendrin and 12-ketoendrin are the main toxic metabolites of endrin. Endrin and its metabolites are excreted in urine and feces. (L112)
毒性值
LD50: 3 mg/kg (Oral, Rat) (T14) LD50: 12 mg/kg (Dermal, Rat) (T14)
致死剂量
致癌性
3, not classifiable as to its carcinogenicity to humans. (L135)
用途/来源
Endrin is used as a pesticide. (L111)
最低风险等级
Intermediate Oral: 0.002 mg/kg/day (L134) Chronic Oral: 0.0003 mg/kg/day (L134)
健康影响
Endrin poisoning affects primarily the nerve system. Exposure causes various harmful effects including hyperexcitability, severe central nervous system damage, and death. Endrin is also believed to cause birth defects. (T10, L112)
症状
Symptoms that may result from endrin poisoning are headaches, dizziness, nervousness, confusion, nausea, vomiting, and convulsions. (L112)
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. (L150)
药库 ID
HMDB_ID
HMDB31211
PubChem 化合物 ID
3048
维基百科链接
http://en.wikipedia.org/wiki/Endrin
创建于
2009-03-06 18:57:58 UTC
更新于
2014-12-24 20:20:57 UTC
目标
毒素T3DB ID毒素名称目标名称
T3D0041 Endrin Estrogen receptor beta
T3D0041 Endrin Estrogen receptor alpha
T3D0041 Endrin Bile acid receptor
T3D0041 Endrin Retinoic acid receptor gamma-2
T3D0041 Endrin Retinoic acid receptor beta
T3D0041 Endrin Nuclear receptor subfamily 1 group I member 2
T3D0041 Endrin Gamma-aminobutyric acid receptor subunit theta
T3D0041 Endrin Gamma-aminobutyric acid receptor subunit rho-3
T3D0041 Endrin Gamma-aminobutyric acid receptor subunit gamma-1
T3D0041 Endrin Gamma-aminobutyric acid receptor subunit epsilon
T3D0041 Endrin Sarcoplasmic/endoplasmic reticulum calcium ATPase 3
T3D0041 Endrin Sarcoplasmic/endoplasmic reticulum calcium ATPase 2
T3D0041 Endrin Sarcoplasmic/endoplasmic reticulum calcium ATPase 1
T3D0041 Endrin Plasma membrane calcium-transporting ATPase 4
T3D0041 Endrin Plasma membrane calcium-transporting ATPase 3
T3D0041 Endrin Plasma membrane calcium-transporting ATPase 2
T3D0041 Endrin Plasma membrane calcium-transporting ATPase 1
T3D0041 Endrin Calcium-transporting ATPase type 2C member 2
T3D0041 Endrin Calcium-transporting ATPase type 2C member 1
T3D0041 Endrin Sodium/potassium-transporting ATPase subunit gamma
T3D0041 Endrin Sodium/potassium-transporting ATPase subunit beta-3
T3D0041 Endrin Sodium/potassium-transporting ATPase subunit beta-2
T3D0041 Endrin Sodium/potassium-transporting ATPase subunit beta-1
T3D0041 Endrin Sodium/potassium-transporting ATPase subunit alpha-4
T3D0041 Endrin Sodium/potassium-transporting ATPase subunit alpha-3
T3D0041 Endrin Sodium/potassium-transporting ATPase subunit alpha-2
T3D0041 Endrin Sodium/potassium-transporting ATPase subunit alpha-1
T3D0041 Endrin Gamma-aminobutyric acid receptor subunit rho-2
T3D0041 Endrin Gamma-aminobutyric acid receptor subunit rho-1
T3D0041 Endrin Gamma-aminobutyric acid receptor subunit pi
T3D0041 Endrin Gamma-aminobutyric acid receptor subunit gamma-3
T3D0041 Endrin Gamma-aminobutyric acid receptor subunit gamma-2
T3D0041 Endrin Gamma-aminobutyric acid receptor subunit delta
T3D0041 Endrin Gamma-aminobutyric acid receptor subunit beta-3
T3D0041 Endrin Gamma-aminobutyric acid receptor subunit beta-2
T3D0041 Endrin Gamma-aminobutyric acid receptor subunit beta-1
T3D0041 Endrin Gamma-aminobutyric acid receptor subunit alpha-6
T3D0041 Endrin Gamma-aminobutyric acid receptor subunit alpha-5
T3D0041 Endrin Gamma-aminobutyric acid receptor subunit alpha-4
T3D0041 Endrin Gamma-aminobutyric acid receptor subunit alpha-3
T3D0041 Endrin Gamma-aminobutyric acid receptor subunit alpha-2
T3D0041 Endrin Gamma-aminobutyric acid receptor subunit alpha-1
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