基本情報
- CAS
643-20-9- 標準SMILES
C1CC2CCCN2C1- InChIKey
ADRDEXBBJTUCND-UHFFFAOYSA-N- 分子式
- C7H13N
- 平均分子量
- 111.18 g/mol
- 単同位体質量
- 111.10479942
概要
Pyrrolizidine is a bicyclic organonitrogen heterocyclic compound comprised of two ortho-fused pyrrolidine rings which share a common nitrogen atom. It is an organic heterobicyclic compound and an organonitrogen heterocyclic compound.
名称と識別子
- 優先名称
- Pyrrolizidine
- IUPAC
- 2,3,5,6,7,8-hexahydro-1H-pyrrolizine
- 現地名
- ヘキサヒドロ-1H-ピロリザイン
- 英語名
- Hexahydro-1H-pyrrolizine
- 分子式
- C7H13N
- 分子量
- 111.18
名称と別名
PYRROLIZIDINE643-20-9HexahydropyrrolizineHexahydro-1H-pyrrolizine1H-Pyrrolizine, hexahydro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine1-Azabicyclo(3.3.0)octane1-Azabicyclo[3.3.0]octaneUNII-U81KWZ2JKNU81KWZ2JKNHSDB 4300NSC 90874
名称をさらに表示
ピロリチジンヘキサヒドロピロリジンヘキサヒドロ-1H-ピロリザイン1-アザビシクロ[3.3.0]オクタンピロリジジンヘキサヒドロ-1H-ピロリジン
NSC-90874PYRROLIZIDINE [HSDB]CHEBI:64950DTXSID00214524NSC-1450601HPyrrolizine, hexahydroRefChem:1779301Azabicyclo(3.3.0)octane
データベース識別子
- CAS
643-20-9- PubChem CID
- 12558
- DTXSID
DTXSID00214524- ChEBI
CHEBI:64950- UNII
- U81KWZ2JKN
- EC Number
- 613-574-8
- Nikkaji
- J110.405E
物性
構造計算による物性
- XLogP
- 1.3
- 極性表面積
- 3.2 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
- 8
- 形式電荷
- 0
- 複雑度
- 80.4
実験および物理化学的性質
Chemical ClassesBiological Agents -> Plant Toxins
物理化学的性質
- 沸点
- 198.35 °C · 198.35°C (rough estimate)
- 比重(密度)
- 0.8928 · 0.8928 (rough estimate)
- 屈折率
- 1.4731 · 1.4731 (estimate)
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。
危険有害性情報
Hazards Summary
Emergency treatment: Plants- pyrrolizidine alkaloids; Pyrrolizidine alkaloids (PAs) cause veno-occlusive liver disease. Diagnosis is difficult because symptoms may be delayed for days or weeks. After drinking herbal tea or eating plants contaminated with seeds of PA plants, symptoms may include vomiting, abdominal pain, hepatomegaly, and later cirrhosis and ascites. Jaundice may be present. Children may appear to have Reye's syndrome. [HSDB] Plants containing significant amounts of pyrrolizidine alkaloids are found all over the world, comprising about 3% of all flowering plants. They have long been known to be toxic to livestock. Outbreaks of poisoning cases in humans after food contamination have been reported, and the problem is endemic in some central Asian republics. [Reference #1] Teas containing PAs include coltsfoot, comfrey, gordolobo, groundsel, mate, tansy ragwort, and T'u-san-chi. The teas may be prescribed as herbal remedies for anxiety or amenorrhea. The alkaloid is concentrated in the root of the plants. As little as 85 mg may be toxic. [Haddad, p. 1082] Over 6000 plants produce pyyrolizidine alkaloids, some of which are toxic. This is probably the most common plant toxin, and it affects livestock, wildlife, and humans. [Haddad, p. 494] Mechanism of toxicity is the metabolic conversion into pyrroles that act as alkylating agents. Hepatic disease leads to cirrhosis and possibly increased risk for hepatic carcinoma. Most poisoning cases have resulted from contamination of food grain with the seeds containing the alkaloid or from medicinal herbs. An estimated 20% of patients die, 50% recover completely, and 30% develop chronic hepatic veno-occlusive disease. [Goldfrank, p. 647, 1546]
Atmospheric Standards
Listed as a hazardous air pollutant (HAP) generally known or suspected to cause serious health problems. The Clean Air Act, as amended in 1990, directs EPA to set standards requiring major sources to sharply reduce routine emissions of toxic pollutants. EPA is required to establish and phase in specific performance based standards for all air emission sources that emit one or more of the listed pollutants. Xylenes is included on this list.
毒性情報
Adverse Effects
化学と産業
用途と製造
UsesNot commercially produced in the US; [HSDB]
U.S. Exports
(1977) No Data
(1979) No Data
U.S. Imports
(1977) No Data
(1979) No Data
U.S. Production
(1977) NOT PRODUCED COMMERCIALLY IN US
(1979) NOT PRODUCED COMMERCIALLY IN US
サプライヤー2 社
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
南京合巨药业有限公司025-57027686 17372956142 · [email protected]
補足説明
定義ChEBI: A bicyclic organonitrogen heterocyclic compound comprised of two ortho-fused pyrrolidine rings which share a common nitrogen atom.
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