trans-Chlordane
SmallMolecule
T3DB_ID
T3D0064
描述
Trans-chlordane, also known as gamma-chlordane, is one of two isomers of chlordane. Chlordane is a manufactured chemical that was used as a pesticide in the United States from 1948 to 1988. (L90)
类别
"Pesticide", "Synthetic Toxin"
同义词
"b-Chlordan", "b-Chlordane", "Beta-chlordane", "Chlordane gamma", "Chlordane trans", "Trans-(gamma)-chlordane", "trans-Chlordan", "Trans-gamma-chlordane"
CAS登记号
5103-74-2
化学式
C10H6Cl8
平均分子量
409.779
单同位素质量
405.797771848
IUPAC 名称
(1R,3R,4R,7S)-1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.0²,⁶]dec-8-ene
传统名称
(1R,3R,4R,7S)-1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.0²,⁶]dec-8-ene
简化分子线性输入规范
[H][C@@]1(Cl)CC2([H])C([H])([C@@]1([H])Cl)[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl
InChI 标识符
InChI=1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2/t2?,3-,4?,5+,8+,9-/m1/s1
InChIKey=BIWJNBZANLAXMG-MRTOWHRVSA-N
化合物类型
Organic compounds
大分类
Organohalogen compounds
类型
Vinyl halides
子类
Vinyl chlorides
直接大类
Vinyl chlorides
另外分类
"Alkyl chlorides", "Chloroalkenes", "Hydrocarbon derivatives", "Organochlorides"
取代基
"Aliphatic homopolycyclic compound", "Alkyl chloride", "Alkyl halide", "Chloroalkene", "Haloalkene", "Hydrocarbon derivative", "Organochloride", "Vinyl chloride"
分子框架
Aliphatic homopolycyclic compounds
外部描述符
""
地位
Detected and Not Quantified
起源
Exogenous
蜂窝位置
"Cell junction", "Extracellular", "Membrane", "Mitochondrion"
生物流体位置
组织位置
途径
"Degradation Of Aromatic Compounds", "Eicosanoids"
状态
Liquid
外貌
Colorless to amber liquid.
熔点/沸点/溶解度
//5.6e-05 mg/mL at 25 °C [MABEY,WR et al. (1981)]
日志P
暴露途径
Oral (A105) ; inhalation (A105)
毒性机制
Chlordane is believed to bind irreversibly to DNA, leading to cell death or altered cellular function. It also affects transcription by antagonizing estrogen-related receptors. Chlordane induces hepatic cytochrome P-450, causing a large increase in the volume of the smooth endoplasmic reticulum, which results in hepatocellular enlargement and hypertrophy. Chlordane has also been shown to bind and activate retinoic acid receptor, causing various developmental defects, and inhibit alkaline phosphatases in hepatic and renal tissues. (L91, A52, A53, A68, A69)
代谢
Chlordane is highly lipophilic and is thus easily absorbed by ingestion, inhalation, and dermal exposure, then stored mainly in the fat. Chlordane is metabolized mainly in the liver and kidney. Metabolism is slow, and is believed to occur by multiple pathways involving cytochrome P-450 enzymes, glutathione-S-transferase type enzymes, and microsomal mixed-function oxidase systems. The metabolites are generally less toxic and include chlordene chlorohydrin, monohydroxylated dihydrochlordene, and oxychlordane. They are excreted in the urine and faeces. (L91)
毒性值
LD50: 200 mg/kg (Oral, Rat) (T13) LD50: 343 mg/kg (Intraperitoneal, Rat) (T13) LD50: 10 mg/kg (Intravenous, Mouse) (T14) LD50: 780 mg/kg (Dermal, Rat) (T14) LC50: 100 mg/m3 over 4 hours (Inhalation, Cat) (T14)
致死剂量
100 mg/kg for an adult human. (T15)
致癌性
Chlordane is possibly carcinogenic to humans (Group 2B). (L135)
用途/来源
Chlordane was used as a pesticide. (L90)
最低风险等级
Intermediate Inhalation: 0.0002 mg/m3 (L134) Chronic Inhalation: 0.00002 mg/m3 (L134) Acute Oral: 0.001 mg/kg/day (L134) Intermediate Oral: 0.0006 mg/kg/day (L134) Chronic Oral: 0.0006 mg/kg/day (L134)
健康影响
Chlordane is a central nervous system stimulant, and can also damage the digestive system and the liver. Large doses have been shown to cause convulsions, respiratory failure, and death. Chlordane is also known to have adverse reproductive and developmental effects. (L91)
症状
Ingestion and inhalation of chlordane cause headaches, irritability, confusion, weakness, vision problems, vomiting, stomach cramps, diarrhea, and jaundice. (L91)
治疗
Treatment is symptomatic. It is aimed at controlling convulsions, coma, and respiratory depression. Gastric lavage, followed by the administration of activated charcoal, may be performed following ingestion. (L146)
药库 ID
HMDB_ID
PubChem 化合物 ID
12303020
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
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