基本情報
- CAS
54-95-5- 標準SMILES
C1CCc2nnnn2CC1- InChIKey
CWRVKFFCRWGWCS-UHFFFAOYSA-N- 分子式
- C6H10N4
- 平均分子量
- 138.17 g/mol
- 単同位体質量
- 138.09054634
概要
Pentetrazol appears as white crystalline powder or granular solid with a slightly pungent odor. Bitter taste. Aqueous solutions neutral to litmus. (NTP, 1992)
名称と識別子
- 優先名称
- Pentylenetetrazole
- IUPAC
- 6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine
- 現地名
- メトラゾール
- 英語名
- Pentetrazol
- 分子式
- C6H10N4
- 分子量
- 138.17
名称と別名
PentetrazolPentylenetetrazolPENTYLENETETRAZOLE54-95-5Metrazole1,5-PentamethylenetetrazoleCardiolCoranormolCenazolKorazolLeptazolCardiazole
名称をさらに表示
1,5-ペンタメチレンテトラゾールペンテトラゾールペンチレンテトラゾールメトラゾールPTZTetrazolMetrazolPentazolTT87Cortis
CorazoleCoryvetKorazoleLeptazolePentetrazoleCorvasolDeumacardPhrenazol
データベース識別子
- CAS
54-95-5- PubChem CID
- 5917
- DTXSID
DTXSID7041091- ChEMBL
CHEMBL116943- ChEBI
CHEBI:34910- UNII
- WM5Z385K7T
- EC Number
- 200-219-3
- Nikkaji
- J22.644K
物性
構造計算による物性
- XLogP
- 0.1
- 極性表面積
- 43.6 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 3
- 回転可能結合数
- 0
- 重原子数
- 10
- 形式電荷
- 0
- 複雑度
- 116
実験および物理化学的性質
LogP0.14
Solubilitygreater than or equal to 100 mg/mL at 70 °F (NTP, 1992)
Human DrugsPharmaceuticals
Melting Point135 to 136 °F (NTP, 1992)
Physical DescriptionPentetrazol appears as white crystalline powder or granular solid with a slightly pungent odor. Bitter taste. Aqueous solutions neutral to litmus. (NTP, 1992)
Collision Cross Section
124.5 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
124.54 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
物理化学的性質
- 融点
- 59 · 59-61 °C (lit.)
- 沸点
- 194 °C/12 · 194 °C/12 mmHg (lit.)
- 比重(密度)
- 1.0617 · 1.0617 (rough estimate)
- 屈折率
- 1.491 · 1.4910 (estimate)
- 闪点
- 194 °C/12mm · 194°C/12mm
- 貯蔵温度
- -20 °C · -20°C
- 溶解性
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。
GHS分類
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Other Safety InformationIMAP assessments - 5H-Tetrazolo[1,5-a]azepine, 6,7,8,9-tetrahydro-: Environment tier I assessment
DOT LabelPoison
Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this compound may include muscle tremors and spontaneous cionic and tonic convulsions followed by profound depression. Death is usually a result of anorexia, medullary depression and respiratory depression.
Reactive GroupAzo, Diazo, Azido, Hydrazine, and Azide Compounds
Reactivity AlertsExplosive
Reactivity Profile
PENTETRAZOL is incompatible with oxidizing agents. (NTP, 1992). Azo, diazo, azido compounds can detonate. This applies in particular to organic azides that have been sensitized by the addition of metal salts or strong acids. Toxic gases are formed by mixing materials of this class with acids, aldehydes, amides, carbamates, cyanides, inorganic fluorides, halogenated organics, isocyanates, ketones, metals, nitrides, peroxides, phenols, epoxides, acyl halides, and strong oxidizing or reducing agents. Flammable gases are formed by mixing materials in this group with alkali metals. Explosive combination can occur with strong oxidizing agents, metal salts, peroxides, and sulfides. Azo dyes can be explosive when suspended in air at specific concentrations.
化学と産業
薬理情報
ATC Code
R - Respiratory system
QR - Respiratory system
MeSH Pharmacological Classification
Substances that act in the brain stem or spinal cord to produce tonic or clonic convulsions, often by removing normal inhibitory tone. They were formerly used to stimulate respiration or as antidotes to barbiturate overdose. They are now most commonly used as experimental tools.
Drugs that bind to but do not activate GABA RECEPTORS, thereby blocking the actions of endogenous GAMMA-AMINOBUTYRIC ACID and GABA RECEPTOR AGONISTS.
用途と製造
Use ClassificationPharmaceuticals
General Manufacturing Information5H-Tetrazolo[1,5-a]azepine, 6,7,8,9-tetrahydro-: ACTIVE
応用分野
解説メトラゾールは，カルジアゾール，ペンテトラゾールともいう。シクロヘキサノンからつくる。無色の単斜針状の結晶で，水，有機溶剤によく溶ける。中枢興奮薬剤に用いられた。ブリタニカ国際大百科事典 小項目事典 ブリタニカ
説明Pentylenetetrazole (PTZ) is a central nervous system modulator that is used to experimentally induce seizures in animals. Subcutaneous PTZ has been used extensively to screen for compounds that block the production of nonconvulsive (absence or myoclonic) seizures. PTZ has diverse, site-specific effects in the brain. However, it is an antagonist of GABAA receptors and some drugs that block PTZ-induced seizures, including benzodiazepines, act at the GABAA receptor.
使用Non-specific CNS stimulant; convulsant; narcotic antagonist.
一般的な説明White crystalline powder or granular solid with a slightly pungent odor. Bitter taste. Aqueous solutions neutral to litmus.
調製方法
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