7-ブロモ-5-(2-クロロフェニル)-1H-1,4-ベンゾジアゼピン-2(3H)-オン
フェナゼパム · 7-ブロモ-5-(2-クロロフェニル)-1,3-ジヒドロ-2H-1,4-ベンゾジアゼピン-2-オン · 7-ブロモ-5-(o-クロロフェニル)-1H-1,4-ベンゾジアゼピン-2(3H)-オン · 5-(2-クロロフェニル)-7-ブロモ-1H-1,4-ベンゾジアゼピン-2(3H)-オン · 7-ブロモ-5-(2-クロロフェニル)-2,3-ジヒドロ-1H-1,4-ベンゾジアゼピン-2-オン · 7-ブロモ-5-(2-クロロフェニル)-1H-1,4-ベンゾジアゼピン-2(3H)-オン · 7-ブロモ-5-(2-クロロフェニル)-1,3-ジヒドロ-3H-1,4-ベンゾジアゼピン-2-オン · CJC-1295 with DAC
識別子と物理属性
| CAS No. | 51753-57-2 |
|---|---|
| 分子式 | C15H10BrClN2O |
| 平均分子量 | 349.61 g/mol |
| 単同位体質量 | 347.9665 g/mol |
| SMILES | O=C1CN=C(c2ccccc2Cl)c2cc(Br)ccc2N1 |
| InChIKey | CGMJQQJSWIRRRL-UHFFFAOYSA-N |
| PubChem CID | 40113 |
| ChEMBL | CHEMBL1709464 |
| EC No. | 682-231-2 |
| DTXSID | DTXSID00199685 |
| 現地名 | 7-ブロモ-5-(2-クロロフェニル)-1H-1,4-ベンゾジアゼピン-2(3H)-オン |
化学・物理的性質
| XLogP | 3.3 |
|---|---|
| 極性表面積 | 41.5 |
| 水素結合供与体数 | 1 |
| 水素結合受容体数 | 2 |
| 回転可能結合数 | 1 |
| 重原子数 | 20 |
| 形式電荷 | 0 |
| 複雑度 | 415 |
| 医薬品 | DEA NFLIS-Drug Category -> BenzodiazepinesPharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds |
| LogP（分配係数） | 3.3 |
| Collision Cross Section | 166 Ų [M+H]+ [CCS Type: TWMethod: Major Mix IMS/Tof Calibration Kit (Waters)] |
| 融点 | 214-224°C |
| 沸点 | 493.0±45.0 °C(Predicted) |
| 密度 | 1.61±0.1 g/cm3(Predicted) |
| 引火点 | 2℃ |
| 貯蔵条件 | Controlled Substance, -20°C Freezer |
| 溶解度 | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) |
| 外観・状態 | Solid |
| pKa（酸解離定数） | 11.58±0.70(Predicted) |
| 色 | Pale Yellow |
| 主な用途 | 臨床検査 |
| InChI | 1S/C15H10BrClN2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20) |
| InChIKey | CGMJQQJSWIRRRL-UHFFFAOYSA-N |
| SMILES | Clc1ccccc1C2=NCC(=O)Nc3ccc(Br)cc23 |
| CAS データベース | 51753-57-2(CAS DataBase Reference) |
化学的特性
7-Bromo-5-(2-chlorophenyl)-1,3-dihydro-2H-1,4-Benzodiazepin-2-one is Pale Yellow Solid
安全性と法規制
| GHS 分類 | DangerH319 (95.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P203, P260, P263, P264, P264+P265, P270, P280, P305+P351+P338, P318, P337+P317, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Eye Irrit. 2 (95.2%) |
| 水環境危害等級（WGK） | 2 |
| 輸送番号（UN） | UN 1648 3 / PGII |
| 毒性 | LD50 ipr-rat: 720 mg/kg KHFZAN 13(10),108,79 |
| 危険文句（R） | 11-20/21/22-36 |
| 危険表示 | F,Xn |
| 安全措置（S） | 16-36/37 |
| 危険等級 | Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 2Muta. 1B |
| 貯蔵分類 | 3 - Flammable liquids |
用途
説明
Phenazepam (CRM) (Item No. ISO60172) is a certified reference material categorized as a benzodiazepine. It has sedative and hypnotic properties and has been detected in illicit tablets. This product is intended for research and forensic applications.
使用
7-Bromo-5-(2-chlorophenyl)-1,3-dihydro-2H-1,4-Benzodiazepin-2-one is used in the treatment of neurological disorders such as epilepsy, alcohol withdrawal and insomnia. It can be used as a premedication before surgery as it augments the effects of anesthetics and reduces anxiety
一般的な説明
Phenazepam, a benzodiazepine drug produced in Russia, is used in Europe as an anxiolytic, anticonvulsant, and muscle relaxant. Although not used therapeutically in the US, the drug can be purchased on the internet for “laboratory research” purposes. Cases of abuse have been reported from European countries such as Sweden and Russia to states including New York, Kentucky, North Carolina, and Georgia.