2-エチリデン-1-メチル-1-ヒドラジンカルボアルデヒド
N'-[(1Z)-ethylidene]-N-methylformohydrazide
基本情報
- CAS
16568-02-8- 標準SMILES
C/C=N\N(C)C=O- InChIKey
IMAGWKUTFZRWSB-HYXAFXHYSA-N- 分子式
- C4H8N2O
- 平均分子量
- 100.12 g/mol
- 単同位体質量
- 100.06366288
概要
Gyromitrin is found in mushrooms. Toxin from the fungus Gyromitra esculenta. Freq. cause of mushroom poisoning Gyromitrin is a toxin and possible carcinogen present in most members of the fungal genus Gyromitra, most notably the false morel G. esculenta.
名称と識別子
- 優先名称
- N'-[(1Z)-ethylidene]-N-methylformohydrazide
- IUPAC
- N-[(Z)-ethylideneamino]-N-methylformamide
- 現地名
- 2-エチリデン-1-メチル-1-ヒドラジンカルボアルデヒド
- 英語名
- gyromitrin
- 分子式
- C4H8N2O
- 分子量
- 100.12
名称と別名
N'-[(1Z)-ethylidene]-N-methylformohydrazideN'-[(E)-ethylidene]-N-methylformohydrazideN'-[(1E)-ethylidene]-N-methylformic hydrazide61748-06-9SCHEMBL22844165DTXSID80860184Ethylidenemethyl-HydrazinecarboxaldehydeEthylidenemethyl-Hydrazine carboxaldehydeEthylidenemethyl-Hydrazine carboxyaldehydeN'-Ethylidene-N-formyl-N-methylhydrazineN'-[-ethylidene]-N-methylformic hydrazideEthylidenemethylhydrazinecarboxaldehyde, 9CI
名称をさらに表示
ギロミトリン2-エチリデン-1-メチル-1-ヒドラジンカルボアルデヒドエチリデンギロミトリンジロミトリンアセトアルデヒドメチルホルミルヒドラゾンN'-エチリデン-N-メチルホルモヒドラジドgyromitrinETHYLENEGYROMITRINMETHYLFORMYLHYDRAZONEEthylidene gyromitrinACETALDEHYDEMETHYLFORMYLHYDRAZONEFORMICACID,ETHYLIDENEMETHYLHYDRAZIDEACETALDEHYDE-N-METHYL-N-FORMYLHYDRAZONE2-Ethylidene-1-methylhydrazinecarboxaldehyde2-Ethylidene-1-methyl-1-hydrazinecarbaldehydeHydrazinecarboxaldehyde, 2-ethylidene-1-methyl-
Hydrazinecarboxaldehyde, ethylidenemethyl- (9CI)
データベース識別子
- CAS
16568-02-8、61748-06-9- PubChem CID
- 5365327
- DTXSID
DTXSID80860184
物性
構造計算による物性
- XLogP
- -0.3
- 極性表面積
- 32.7 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 2
- 回転可能結合数
- 1
- 重原子数
- 7
- 形式電荷
- 0
- 複雑度
- 79.8
実験および物理化学的性質
Melting Point19.5 °C
Physical DescriptionLiquid
Collision Cross Section123.58 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
物理化学的性質
- 沸点
- 187.56 °C · 187.56°C (rough estimate)
- 比重(密度)
- 1.1275 · 1.1275 (rough estimate)
- 屈折率
- 1.488 · 1.4880 (estimate)
- 溶解性
- Chloroform (Soluble), DMSO (Slightly), Ethyl Acetate (Sparingly)
- 外見
- Oil
- 酸解離定数(Pka)
- 2.36 · 2.36±0.70(Predicted)
- 色
- Colourless to Yellow
- 安定性
- Light Sensitive
- LogP
- -0.3 · -0.300 (est)
- EPAの化学物質情報
- Gyromitrin (16568-02-8)
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。
毒性情報
Health EffectsConsuming large amounts of gyromitrin, such as are found in untreated false morels, may lead to catastrophic liver failure and death. (L1013)
Exposure RoutesOral, dermal, inhalation, and parenteral (contaminated drugs). (A3101)
Toxicity Summary
The toxicity is caused by the conversion of the hydrazine (gyromitrin) to a hydrazine metabolite intermediate monomethylhydrazine. This occurs when gyromitrin begins to be metabolized and it undergoes hydrolysis. The necrosis and steatosis are caused by monomethylhydrazine. (L1013)
Signs and SymptomsInitial symptoms of gyromitrin exposure include headache, nausea and dizziness. As gyromitrin is quite volatile, even just the presence of false morels in a poorly ventilated space may be enough to cause these symptoms. (L1013)
Carcinogen Classification3, not classifiable as to its carcinogenicity to humans. (L135)
安全データ
- ridadr
- 1544
- 毒性
- LD50 orl-rat: 320 mg/kg FCTXAV 15,575,77
- hazard_class
- 6.1(b)
- packing_group
- III
- 有毒物質データの
- 16568-02-8(Hazardous Substances Data)
化学と産業
薬理情報
Metabolism/MetabolitesGyromitrin is converted to a hydrazine metabolite intermediate monomethylhydrazine. This occurs when gyromitrin begins to be metabolized and it undergoes hydrolysis. (L1013)
Cellular LocationsCytoplasm
用途と製造
UsesGyromitrin is a toxic and possibly carcinogenic chemical present in most members of the fungal genus Gyromitra, most notably the false morel G. esculenta. (L1013)
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