化工社化工社 化学情報印刷レポート · 研究参考用
オキサゼパム
セレスタ · シガカルム · 7-クロロ-5-フェニル-3-ヒドロキシ-1H-1,4-ベンゾジアゼピン-2(3H)-オン · 7-クロロ-3-ヒドロキシ-5-フェニル-1H-1,4-ベンゾジアゼピン-2(3H)-オン · ロンダル · タゼパム · セレニド · 3-ヒドロキシ-5-フェニル-7-クロロ1H-1,4-ベンゾジアゼピン-2(3H)-オン
識別子と物理属性
| CAS No. | 604-75-1 |
|---|---|
| 分子式 | C15H11ClN2O2 |
| 平均分子量 | 286.71 g/mol |
| 単同位体質量 | 286.0509053 g/mol |
| SMILES | O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=NC1O |
| InChIKey | ADIMAYPTOBDMTL-UHFFFAOYSA-N |
| PubChem CID | 4616 |
| ChEMBL | CHEMBL568 |
| ChEBI | CHEBI:7823 |
| EC No. | 210-076-9 |
| DTXSID | DTXSID1021087 |
| 現地名 | オキサゼパム |
化学・物理的性質
| XLogP | 2.2 |
|---|---|
| 極性表面積 | 61.7 |
| 水素結合供与体数 | 2 |
| 水素結合受容体数 | 3 |
| 回転可能結合数 | 1 |
| 重原子数 | 20 |
| 形式電荷 | 0 |
| 複雑度 | 407 |
| pH | BETWEEN 4.8 AND 7.0 (1 IN 50 SUSPENSION) |
| LogP（分配係数） | 2.24log Kow = 2.24 at pH 7.42.8 |
| 臭い | PRACTICALLY ODORLESS |
| 味 | BITTER |
| Color/Form | Crystals from alcoholCREAMY WHITE TO PALE-YELLOW POWDER |
| 溶解度 | less than 1 mg/mL at 66 °F (NTP, 1992)Soluble in alcohol, chloroform, dioxane1 G SOL IN MORE THAN 10,000 ML WATER, 220 ML ALCOHOL, 270 ML CHLOROFORM, 2200 ML ETHERIn water, 0.02 g/L at 22 °C8.81e-02 g/L水にほとんど溶けず、エタノールにわずかに溶けます (96%)。20mg/L(22℃) |
| 融点 | 401 to 403 °F (NTP, 1992)205-206 °C205 - 206 °C205-206° |
| 蒸気圧 | 4.2X10-12 mm Hg at 25 °C /Estimated/ |
| ヘンリー定数 | Henry's Law constant = 5.5X10-10 atm-cu m/mole at 25 °C /Estimated/ |
| Physical Description | Oxazepam appears as odorless creamy-white to pale-yellow powder or white crystalline solid. Bitter taste. pH (2% aqueous suspension) 4.8-7. (NTP, 1992) |
| Stability/Shelf Life | STABLE IN LIGHTSTABLE AS SOLID OR IN NEUTRAL SOLN BUT HYDROLYZED BY ACIDS |
| Dissociation Constants | pKa1: 1.55 (-C=N-)pKa2: 10.9 (-OH) /Estimated/ |
| 沸点 | 506.5±50.0 °C(Predicted) |
| 密度 | 1.3052 (rough estimate) |
| 屈折率 | 1.5200 (estimate) |
| 引火点 | 11 °C |
| 貯蔵条件 | −20°C |
| 外観・状態 | liquid |
| pKa（酸解離定数） | pKa 1.6/11.6(5% MeOH in H2O,t =20,I=0.15) (Uncertain) |
| ヘンリー定数 | 1.8×104 mol/(m3Pa) at 25℃, HSDB (2015) |
| 主な用途 | 臨床検査 |
| InChI | 1S/C15H11ClN2O2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-15(20)14(19)17-12/h1-8,15,20H,(H,17,19) |
| InChIKey | ADIMAYPTOBDMTL-UHFFFAOYSA-N |
| SMILES | OC1N=C(c2ccccc2)c3cc(Cl)ccc3NC1=O |
| CAS データベース | 604-75-1(CAS DataBase Reference) |
| EPAの化学物質情報 | Oxazepam (604-75-1) |
化学的特性
Off-White Solid
安全性と法規制
| GHS 分類 | WarningH351 (95.7%): Suspected of causing cancer [Warning Carcinogenicity]P203, P280, P318, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 8 notifications to the ECHA C&L Inventory.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 | Hazard Traits - CarcinogenicityDevelopmental ToxicityAuthoritative List - IARC Carcinogens - 2BProp 65Report - regardless of intended function of ingredient in the productDEA schedule IV controlled substanceOxazepam: 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-chloro-1,3-dihydro-3-hydroxy-5-phenyl-: Environment tier I assessmentIMAP assessments - 2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-3-hydroxy-5-phenyl-: Human health tier I assessment |
| 火災危険 | Flash point data for this chemical are not availablehowever, it is probably combustible. (NTP, 1992) |
| 健康有害性 | SYMPTOMS: Symptoms of exposure to this compound include sedation, nausea, drowsiness, ataxia and coma (from large doses). Other symptoms include vomiting, lethargy, hyporeflexia, muscular weakness, dysarthria, nystagmus, hypotension, respiratory failure and death from respiratory or cardiac arrest. Exposure can cause syncope, liver damage, bone marrow damage and sensitivity reactions. It can also cause dryness of the mouth, aggressive behavior, blood dyscrasias and hepatic dysfunction. Sleepiness has been reported. It may cause lightheadedness, respiratory depression, constipation, changes in salivation, blurred vision, diplopia, urinary retention, incontinence, mental depression, tremor, headache, confusion, slurred speech, vertigo, changes in libido, blood disorders, jaundice, central nervous system depression and, sometimes, paradoxical reactions such as dysphoria. It may also cause skin rashes (morbilliform, urticarial and maculopapular), dizziness, stimulation of affect, leukopenia, severe rage reactions (rare), menstrual irregularities, change in EEG pattern, agranulocytosis, stupor, disorientation, fever, euphoria, transient amnesia and memory impairment. Exposure to children has resulted in somnolence, changes in REM sleep and loss of muscle control (ataxia). It has also caused lethargy, paradoxical excitation, depressed reflexes, facial edema, delirium, hallucinations and convulsions. |
用途
用途
動物実験、薬毒物試験の標準品。
使用
Anxiolytic; muscle relaxant (skeletal); anticonvulsant; ligand for the GABAA receptor benzodiazepine modulatory site. Controlled substance (depressant).
一般的な説明
Oxazepam, 7-chloro-1,3-dihydro-3-hydroxy-5-phenyl-2H-1,4-benzodiazpin-2-one (Serax), isan active metabolite of both chlordiazepoxide and diazepamand can be considered a prototype for the 3-hydroxy benzo-diazepines. It is much more polar than diazepam. Oxazepam is rapidlyinactivated to glucuronidated metabolites that are excretedin the urine. Thus, the half-life of oxazepam is about 4 to 8hours, and it is marketed as a short-acting anxiolytic. As aresult, its cumulative effects with chronic therapy are muchless than with long-acting benzodiazepine such as chlordiazepoxideand diazepam.