クエチアピン
2-[2-[4-[ジベンゾ[b,f][1,4]チアゼピン-11-イル]ピペラジン-1-イル]エトキシ]エタノール · 11-[4-[2-(2-ヒドロキシエトキシ)エチル]ピペラジノ]ジベンゾ[b,f][1,4]チアゼピン · クエチアピン · 2-[2-[4-(ジベンゾ[b,f][1,4]チアゼピン-11-イル)ピペラジノ]エトキシ]エタノール · 2-{2-[4-(ジベンゾ[b,f][1,4]チアゼピン-11-イル)ピペラジン-1-イル]エトキシ}エタノール · 2-[2-[4-(ジベンゾ[b,f][1,4]チアゼピン-11-イル)ピペラジン-1-イル]エトキシ]エタノール · 2-[2-(4-{2-チア-9-アザトリシクロ[9.4.0.03,8]ペンタデカ-1(15),3,5,7,9,11,13-ヘプタエン-10-イル}ピペラジン-1-イル)エトキシ]エタン-1-オール · QUETIAPIN
識別子と物理属性
| CAS No. | 111974-69-7 |
|---|---|
| 分子式 | C21H25N3O2S |
| 平均分子量 | 383.5 g/mol |
| 単同位体質量 | 383.16674804 g/mol |
| SMILES | OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1 |
| InChIKey | URKOMYMAXPYINW-UHFFFAOYSA-N |
| PubChem CID | 5002 |
| ChEMBL | CHEMBL716 |
| ChEBI | CHEBI:8707 |
| EC No. | 601-143-7 |
| DTXSID | DTXSID9023546 |
| 現地名 | クエチアピン |
化学・物理的性質
| XLogP | 2.1 |
|---|---|
| 極性表面積 | 73.6 |
| 水素結合供与体数 | 1 |
| 水素結合受容体数 | 5 |
| 回転可能結合数 | 6 |
| 重原子数 | 27 |
| 形式電荷 | 0 |
| 複雑度 | 496 |
| 医薬品 | Pharmaceuticals -> Listed in ZINC15Pharmaceuticals -> Used in SwitzerlandPharmaceuticals -> Antipsychotics |
| LogP（分配係数） | 3.54 |
| Color/Form | Solid |
| 溶解度 | 49.4 [ug/mL] (The mean of the results at pH 7.4)H2O : < 0.1 mg/mL (insoluble) |
| 引火点 | 9.7 °C (49.5 °F) - closed cup |
| Human Drugs | Breast FeedingLactationMilk, HumanAntipsychotic AgentsMedicines for bipolar disorders |
| 沸点 | 556.5±60.0556.5±60.0 °C(Predicted) |
| 融点 | 174-176172-173 °C |
| Physical Description | Solid |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| Dissociation Constants | 7.06 |
| Collision Cross Section | 188.6 Ų [M+Na]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID3044201]192.9 Ų [M+H]+ [CCS Type: TWMethod: Major Mix IMS/Tof Calibration Kit (Waters)]190.58 Ų [M+K]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]191.1 Ų [M+H]+ [CCS Type: DTMethod: single field calibrated]191.5 Ų [M+H]+ [CCS Type: TW |
| 密度 | 1.27±0.1 g/cm3(Predicted) |
| 貯蔵条件 | Store at -20°C |
| 外観・状態 | Powder |
| pKa（酸解離定数） | 14.41±0.10(Predicted) |
| 色 | Light yellow to yellow |
| 安定性 | Very Hygroscopic |
| LogP（分配係数） | 0.899 |
| CAS データベース | 111974-69-7(CAS DataBase Reference) |
安全性と法規制
| GHS 分類 | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P304+P340, P305+P354+P338, P317, P319, P330, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H225: Highly Flammable liquid and vapor [Danger Flammable liquids] |
|---|---|
| 規制情報 | Status: Active Update: 11-04-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33496 |
| FDA 要件 | The Approved Drug Products with Therapeutic Equivalence Evaluations identifies currently marketed prescription drug products, including quetiapine fumarate, approved on the basis of safety and effectiveness by FDA under sections 505 of the Federal Food, Drug, and Cosmetic Act. /Quetiapine fumarate/ |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Hazardous Reactivities and Incompatibilities | Incompatible materials: Acids, Oxidizing agents, Alkali metals, Strong oxidizing agents, Strong acids, Acid chlorides, Acid anhydrides, Reducing agents, Strong reducing agents, Phosphorus halides |
| 消火手順 | Advice for firefighters: Wear self-contained breathing apparatus for firefighting if necessary. Use water spray to cool unopened containers.Suitable extinguishing media: Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide. |
| 保管条件 | Conditions for safe storage, including any incompatibilities: Keep container tightly closed in a dry and well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage. Recommended storage temperature -20 °C |
| 清掃方法 | ACCIDENTAL RELEASE MEASURES. Personal precautions, protective equipment and emergency procedures: Wear respiratory protection. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Remove all sources of ignition. Evacuate personnel to safe areas. Beware of vapours accumulating to form explosive concentrations. Vapours can accumulate in low areas.Environmental precautions: Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided. |
用途
用途
クエチアピン（英:Quetiapine）は、ジベンゾチアゼピン系の非定型抗精神病薬の一つである。主にその症状である幻覚や妄想を抑える。またアメリカでは双極性障害にも適応があり気分安定薬として用いられる。
使用
Labelled Quetiapine (Q510000). Used as an antipsychotic.
一般的な説明
Quetiapine, 2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]-ethanol fumarate (2:1,salt) (Seroquel), is a white to off-white crystalline powderthat is moderately water soluble. Quetiapine is rapidly absorbed,and peak plasma levels occur 1 to 2 hours after administration.Food does not appreciably affect the absorptionof quetiapine. The compound is 83% bound to plasma proteinsand it has a mean elimination half-life of 7 hours.Administration of a single dose of 14C-quetiapine showedthat only 1% of the drug was excreted unchanged, with 73%excreted into the urine and approximately 30% excreted inthe feces.Numerous metabolites of quetiapine are known,and the sulfoxide metabolite represents the major metabolitepresent in plasma. This metabolite is pharmacologicallyinactive. The remaining metabolites represent only5% of the total radioactivity found in plasma. The 7-hydroxyand the 7-hydroxy-N-desalkyl are active metabolites, but because of their low concentrations in plasma are not thoughtto contribute to the overall effects of quetiapine. Common side effects associated with quetiapine therapyare orthostatic hypotension and somnolence. These effects are presumably caused by -adrenergic and histamine H1 receptorblockade, respectively. As with other atypical antipsychotics,patients treated with quetiapine should be monitoredfor hyperglycemic symptoms. Also, children and adolescentswith major depressive disorder may experience an increase intheir depression or suicidal tendencies.typical antipsychotics such as chlorpromazine.This findingmay explain the lack of EPS associated with quetiapine.