基本情報
- 標準SMILES
CC1CN2CC(=O)Nc3ccc(Cl)cc3C2(c2ccccc2)O1- InChIKey
VCCZBYPHZRWKFY-UHFFFAOYSA-N- 分子式
- C18H17ClN2O2
- 平均分子量
- 328.8 g/mol
- 単同位体質量
- 328.0978555
名称と識別子
- 優先名称
- Oxazolam
- IUPAC
- 10-chloro-2-methyl-11b-phenyl-2,3,5,7-tetrahydro-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-one
- 現地名
- オキサゾラム
- 英語名
- OXAZOLAM METHANOL SOLUTION
- 分子式
- C18H17ClN2O2
- 分子量
- 328.79
名称と別名
名称をさらに表示
データベース識別子
- CAS
24143-17-7- PubChem CID
- 4617
- DTXSID
DTXSID5023401- ChEMBL
CHEMBL2104805- ChEBI
CHEBI:31944- UNII
- 1V2WI2NA1C
- EC Number
- 246-032-0
- Nikkaji
- J3.472J
物性
構造計算による物性
- XLogP
- 3
- 極性表面積
- 41.6 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 3
- 回転可能結合数
- 1
- 重原子数
- 23
- 形式電荷
- 0
- 複雑度
- 468
実験および物理化学的性質
物理化学的性質
- 融点
- 187 °C · 187°C
- 沸点
- 495.8 · 495.8±45.0 °C(Predicted)
- 比重(密度)
- 1.2065 · 1.2065 (rough estimate)
- 屈折率
- 1.54 · 1.5400 (estimate)
- 闪点
- 11 °C · 11 °C
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- Chloroform (Slightly), Methanol (Slightly)
- 酸解離定数(Pka)
- 12.85 · 12.85±0.60(Predicted)
- 外見
- 固体
安全と法規制
GHS分類
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, 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 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
危険有害性情報
毒性情報
Treatment
General supportive measures should be employed, along with intravenous fluids, and an adequate airway maintained. Hypotension may be combated by the use of norepinephrine or metaraminol. Dialysis is of limited value. Flumazenil (Anexate) is a competitive benzodiazepine receptor antagonist that can be used as an antidote for benzodiazepine overdose. In particular, flumazenil is very effective at reversing the CNS depression associated with benzodiazepines but is less effective at reversing respiratory depression. Its use, however, is controversial as it has numerous contraindications. It is contraindicated in patients who are on long-term benzodiazepines, those who have ingested a substance that lowers the seizure threshold, or in patients who have tachycardia or a history of seizures. As a general rule, medical observation and supportive care are the mainstay of treatment of benzodiazepine overdose. Although benzodiazepines are absorbed by activated charcoal, gastric decontamination with activated charcoal is not beneficial in pure benzodiazepine overdose as the risk of adverse effects often outweigh any potential benefit from the procedure. It is recommended only if benzodiazepines have been taken in combination with other drugs that may benefit from decontamination. Gastric lavage (stomach pumping) or whole bowel irrigation are also not recommended.
Toxicity Summary
Benzodiazepines bind nonspecifically to benzodiazepine receptors BNZ1, which mediates sleep, and BNZ2, which affects affects muscle relaxation, anticonvulsant activity, motor coordination, and memory. As benzodiazepine receptors are thought to be coupled to gamma-aminobutyric acid-A (GABAA) receptors, this enhances the effects of GABA by increasing GABA affinity for the GABA receptor. Binding of the inhibitory neurotransmitter GABA to the site opens the chloride channel, resulting in a hyperpolarized cell membrane that prevents further excitation of the cell.
法規制情報
安全データ
- 毒性
- LD50 orl-mus: 5200 mg/kg NYKZAU 66,107,70
- risk_code
- 11-23/24/25-39/23/24/25-36/38-23/25
- hazard_code
- F,T
- safety_code
- 16-36/37-45-24
- DEA Controlled Substances
- CSCN: 2839CSA SCH: Schedule IVNARC: No
化学と産業
応用分野
解説オキサゾラム.N-(2-ベンゾイル-4-クロロフェニル)ブロモアセトアミドと1-アミノ-2-プロパノールとを加熱反応させると得られる.白色の結晶性粉末.融点約187 ℃.酢酸に易溶,1,4-ジオキサン,ジクロロメタンに可溶,エタノール,エーテルに難溶,水に不溶.トランキライザーとして用いられる.LD50 5200 mg/kg(マウス,経口).
用途ベンゾジアゼピン系化合物で す。GABA受容体に作用し、中枢神経抑制作 用を示します。作用時間は、長時間型とされ ています。
用途ベンゾジアゼピン系化合物で す。GABA 受容体に作用し、中枢神経抑制作 用を示します。作用時間は、長時間型とされ ています。
使用A psychotropic agent with anxiolytic, anticonvulsant, sedative and skeletal muscle relaxant properties. It is a precursor to the active substance Desmethyldiazepam (D291595).
上流・下流製品情報
上流原料
関連反応
関連ノート
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