基本情報
- CAS
128-10-9- 標準SMILES
ClC1=C(Cl)C2(Cl)C3C4CC(C5OC45)C3C1(Cl)C2(Cl)Cl- InChIKey
DFBKLUNHFCTMDC-UHFFFAOYSA-N- 分子式
- C12H8Cl6O
- 平均分子量
- 380.9 g/mol
- 単同位体質量
- 377.870631
概要
Endrin can cause developmental toxicity according to The Environmental Protection Agency (EPA).
名称と識別子
- 優先名称
- 2,7:3,6-Dimethanonaphth[2,3-b]oxirene, 3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-
- IUPAC
- 3,4,5,6,13,13-hexachloro-10-oxapentacyclo[6.3.1.13,6.02,7.09,11]tridec-4-ene
- 現地名
- 1,4,4a,5,6,7,8,8a-オクタヒドロ-1,2,3,4,11,11-ヘキサクロロ-6,7-エポキシ-1,4:5,8-ジメタノナフタレン
- 英語名
- 3,4,5,6,9,9-Hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphtho[2,3-b]oxirene
- 分子式
- C12H8Cl6O
- 分子量
- 380.91
名称と別名
128-10-9NSC 231371exo-1,4-endo-5,8-Dimethanonaphthalene1,4:5,8-Dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-2,7:3,6-Dimethanonaphth(2,3-b)oxirene, 3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-Dimethanonaphth[2,3-b]oxirene, 3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-RefChem:2488812,7:3,6-Dimethanonaphth(2,3-b)oxirene, 3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-(9CI)Endrin isomer3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphtho[2,3-b]oxireneEndrin 20 ECEndrin and metabolites
名称をさらに表示
3,4,5,6,9,9-ヘキサクロロ-1a,2,2a,3,6,6a,7,7a-オクタヒドロ-2,7:3,6-ジメタノナフト[2,3-b]オキシレン1,4,4a,5,6,7,8,8a-オクタヒドロ-1,2,3,4,11,11-ヘキサクロロ-6,7-エポキシ-1,4:5,8-ジメタノナフタレン3,4,5,6,13,13-ヘキサクロロ-10-オキサペンタシクロ[6.3.1.13,6.02,7.09,11]トリデカ-4-エンNsc2313711,4,4a,5,6,7,8,8a-Octahydro-1,2,3,4,11,11-hexachloro-6,7-epoxy-1,4:5,8-dimethanonaphthalene
物性
構造計算による物性
- XLogP
- 3.7
- 極性表面積
- 12.5 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 1
- 回転可能結合数
- 0
- 重原子数
- 19
- 形式電荷
- 0
- 複雑度
- 516
実験および物理化学的性質
LogP
5.20
5.11
Solubility0.00025 mg/mL at 25 °C
Melting Point226 - 230 °C
Physical DescriptionSolid
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
安全と保護具
Minimum Risk LevelIntermediate Oral: 0.002 mg/kg/day (L134)
Chronic Oral: 0.0003 mg/kg/day (L134)
毒性情報
TreatmentTreatment is symptomatic, aimed at controlling convulsions, coma, and respiratory depression. If ingested, gastric lavage may be performed, followed by administering activated charcoal powder. (L150)
Health EffectsEndrin 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)
Exposure RoutesOral (L111)
Toxicity Summary
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)
Signs and SymptomsSymptoms that may result from endrin poisoning are headaches, dizziness, nervousness, confusion, nausea, vomiting, and convulsions. (L112)
Carcinogen Classification3, not classifiable as to its carcinogenicity to humans. (L135)
Toxicity Data
化学と産業
薬理情報
Metabolism/Metabolites
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)
Cellular LocationsMembrane
用途と製造
UsesEndrin is used as a pesticide. (L111)
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