化工社化工社 化学情報印刷レポート · 研究参考用
ブロマゼパム
7-ブロモ-1,3-ジヒドロ-5-(2-ピリジル)-2H-1,4-ベンゾジアゼピン-2-オン · レクトパム · 5-(2-ピリジル)-7-ブロモ-1H-1,4-ベンゾジアゼピン-2(3H)-オン · レキソミル · セニラン · 7-ブロモ-5-(2-ピリジル)-1H-1,4-ベンゾジアゼピン-2(3H)-オン · ブロマゼパム · レキソタン

識別子と物理属性
| CAS No. | 1812-30-2 |
|---|---|
| 分子式 | C14H10BrN3O |
| 平均分子量 | 316.15 g/mol |
| 単同位体質量 | 315.00072 g/mol |
| SMILES | O=C1CN=C(c2ccccn2)c2cc(Br)ccc2N1 |
| InChIKey | VMIYHDSEFNYJSL-UHFFFAOYSA-N |
| PubChem CID | 2441 |
| ChEMBL | CHEMBL277062 |
| ChEBI | CHEBI:31302 |
| EC No. | 217-322-4 |
| DTXSID | DTXSID40171081 |
| 現地名 | ブロマゼパム |
化学・物理的性質
| XLogP | 1.7 |
|---|---|
| 極性表面積 | 54.4 |
| 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 | 19 |
| 形式電荷 | 0 |
| 複雑度 | 385 |
| LogP(分配係数) | 2.05 |
| 溶解度 | 3.99e-02 g/L水にほとんど溶けず、エタノール (96%) および塩化メチレンに溶けにくい。 |
| Physical Description | Solid |
| Kovats Retention Index | 259126262601261326332637.7 |
| Collision Cross Section | 159.8 Ų [M+H]+ [CCS Type: TWMethod: Major Mix IMS/Tof Calibration Kit (Waters)] |
| 融点 | 237-238.5oC (dec.) |
| 沸点 | 490.7±45.0 °C(Predicted) |
| 密度 | 1.5573 (rough estimate) |
| 屈折率 | 1.6520 (estimate) |
| 引火点 | 11 °C |
| 貯蔵条件 | 2-8°C |
| pKa(酸解離定数) | pKa 2.5(spectro, polarographic) (Uncertain)5.2(spectro, polarographic) (Uncertain)11.8(spectro, polarographic) (Uncertain) |
| 外観・状態 | A crystalline solid |
| CAS データベース | 1812-30-2(CAS DataBase Reference) |
| NISTの化学物質情報 | Bromazepam(1812-30-2) |
化学的特性
Crystalline Solid
安全性と法規制
| GHS 分類 | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (87.8%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (87.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (87.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, 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 49 reports by companies from 8 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. |
|---|---|
| 規制情報 | DEA schedule IV controlled substance2H-1,4-Benzodiazepin-2-one, 7-bromo-1,3-dihydro-5-(2-pyridinyl)-: Does not have an individual approval but may be used under an appropriate group standard |
| その他の安全情報 | IMAP assessments - 2H-1,4-Benzodiazepin-2-one, 7-bromo-1,3-dihydro-5-(2-pyridinyl)-: Environment tier I assessmentIMAP assessments - 2H-1,4-Benzodiazepin-2-one, 7-bromo-1,3-dihydro-5-(2-pyridinyl)-: Human health tier I assessment |
| Hazard Classes and Categories | Acute Tox. 4 (100%)Skin Irrit. 2 (87.8%)Eye Irrit. 2 (87.8%)STOT SE 3 (87.8%) |
| 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. |
用途
用途
生化学用試薬、神経作用物質。
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、中時間型とされ 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、中時間型とされ ています。
説明
Bromazepam is a psychoactive benzodiazepine derivative and prescription drug that is commonly abused and often used in ‘drug-facilitated crimes’. This product is intended for forensic and research applications.
使用
Controlled substance (depressant). Anxiolytic.