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エスタゾラム
エスタゾラム · エスタゾラム (JP17) · プロソムタブス · 8-クロロ-6-フェニル-4H-[1,2,4]トリアゾロ[4,3-a][1,4]ベンゾジアゼピン · オイロジン · ヌクタロン · エシルガン · ヨーロジン
識別子と物理属性
| CAS No. | 29975-16-4 |
|---|---|
| 分子式 | C16H11ClN4 |
| 平均分子量 | 294.74 g/mol |
| 単同位体質量 | 294.06722403 g/mol |
| SMILES | Clc1ccc2c(c1)C(c1ccccc1)=NCc1nncn1-2 |
| InChIKey | CDCHDCWJMGXXRH-UHFFFAOYSA-N |
| PubChem CID | 3261 |
| ChEMBL | CHEMBL285674 |
| ChEBI | CHEBI:4858 |
| EC No. | 249-982-4 |
| DTXSID | DTXSID5020572 |
| 現地名 | エスタゾラム |
化学・物理的性質
| XLogP | 1.7 |
|---|---|
| 極性表面積 | 43.1 |
| 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 | 1 |
| 重原子数 | 21 |
| 形式電荷 | 0 |
| 複雑度 | 407 |
| 医薬品 | DEA NFLIS-Drug Category -> BenzodiazepinesDEA Schedule IV Controlled Substance -> DepressantsPharmaceuticals -> Synthetic Cannabinoids or Psychoactive CompoundsPharmaceuticals -> BenzodiazepinesPharmaceuticals -> Listed in ZINC15 |
| LogP（分配係数） | 4.7 |
| 溶解度 | Practically insoluble (1.5 mg/L)4.23e-02 g/LDMF: 30 mg/mlDMF:PBS(pH 7.2)(1:1): 0.5 mg/mlDMSO: 20 mg/mlEthanol: 10 mg/ml |
| Human Drugs | Breast FeedingLactationMilk, HumanBenzodiazepinesHypnotics and SedativesFDA approved drugs -> Active ingredientPharmaceuticals |
| 融点 | 228-229228.5 °C228-229° |
| Physical Description | Solid |
| Collision Cross Section | 168.1 Ų [M+H]+ [CCS Type: DTMethod: single field calibrated] |
| 沸点 | 448.04°C (rough estimate) |
| 密度 | 1.2294 (rough estimate) |
| 屈折率 | 1.6110 (estimate) |
| 引火点 | 11 °C |
| 貯蔵条件 | 2-8°C |
| 外観・状態 | A crystalline solid |
| pKa（酸解離定数） | pKa 2.84(H2O) (Uncertain) |
| CAS データベース | 29975-16-4(CAS DataBase Reference) |
| NISTの化学物質情報 | Estazolam(29975-16-4) |
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 2.3% (1 of 44) of reports.WarningH315 (93.2%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | DEA schedule IV controlled substance4H-1,2,4Triazolo4,3-a1,4benzodiazepine, 8-chloro-6-phenyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (93.2%) |
| Treatment | Gastric evacuation, either by the induction of emesis, lavage, or both, should be performed immediately. Maintenance of adequate ventilation is essential. General supportive care, including frequent monitoring of the vital signs and close observation of the patient, is indicated. Fluids should be administered intravenously to maintain blood pressure and encourage diuresis. The value of dialysis in treatment of benzodiazepine overdose has not been determined. The physician may wish to consider contacting a Poison Control Center for up-to-date information on the management of hypnotic drug product overdose. Flumazenil, a specific benzodiazepine receptor antagonist, is indicated for the complete or partial reversal of the sedative effects of benzodiazepines and may be used in situations when an overdose with a benzodiazepine is known or suspected. (L1712) |
| 健康影響 | May cause a potentially dangerous rash that may develop into Stevens Johnson syndrome, an extremely rare but potentially fatal skin disease. |
| Hepatotoxicity | Estazolam, as with other benzodiazepines, is rarely associated with serum ALT elevations, and clinically apparent liver injury from estazolam is extremely rare, if it occurs at all. There have been no published case reports of symptomatic, acute liver injury from estazolam. Isolated cases of clinically apparent hepatitis have been reported with other benzodiazepines including alprazolam, chlordiazepoxide, clonazepam, diazepam, flurazepam, lorazepam, and triazolam. The clinical pattern of acute liver injury from benzodiazepines is typically cholestatic and mild-to-moderate in severity with a latency of 1 to 6 months and full recovery within 1 to 2 months. Fever and rash have not been described nor has autoantibody formation. |
| 暴露経路 | Tablets have been found to be equivalent in absorption to an orally administered solution of estazolam. In healthy subjects who received up to three times the recommended dose, peak estazolam plasma concentrations occurred within two hours after dosing (range 0.5 to 6.0 hours) and were proportional to the administered dose, suggesting linear pharmacokinetics over the dosage range tested. |
| 毒性の概要 | Benzodiazepines bind nonspecifically to benzodiazepine receptors, which affects affects muscle relaxation, anticonvulsant activity, motor coordination, and memory. As benzodiazepine receptors are thought to be coupled to gamma-aminobutyric acid-A (GABA<sub>A</sub>) receptors, this enhances the effects 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. |
| Signs and Symptoms | Symptoms of overdose include confusion, depressed breathing, drowsiness and eventually coma, lack of coordination, and slurred speech. |
| Carcinogen Classification | EstazolamGroup 3: Not classifiable as to its carcinogenicity to humansVolume 66: (1996) Some Pharmaceutical Drugs3, not classifiable as to its carcinogenicity to humans. (L135) |
| Drug Induced Liver Injury | Drug Induced Liver Injury Rank (DILIrank 2.0)EstazolamvNo-DILI-concernNo matchDOI:10.1016/j.drudis.2016.02.015 |
| Effects During Pregnancy and Lactation | ◉ Summary of Use during Lactation◈ What is estazolam? |
| Toxicity Data | LD50: 740 mg/kg (oral, male mice) (L1867) LD50: 3200 mg/kg (oral, rat) (L1867) LD50 300 mg/kg (oral, rabbit) (L1867) |
| 水環境危害等級（WGK） | 3 |
| RTECS 番号 | XZ5473500 |
| 輸送番号（UN） | 3249 |
| 毒性 | LD50 orally in male mice, rats and rabbits: 740, 3200, 300 mg/kg (Yokotani) |
| 税関コード | 2933910000 |
| 危険文句（R） | 36/37/38-39/23/24/25-23/24/25-11 |
| 危険表示 | Xi,T,F |
| 安全措置（S） | 36/37/39-45-36/37-16-7 |
| 危険等級 | 6.1(b) |
| 包装等級 | III |
用途
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。作用時間は中時間です。
使用
A benzodiazepine derivative possessing anxiolytic, anticonvulsant, and muscle relaxant properties. It is commonly prescribed to treat short-term insomnia. Controlled Substance.