イソフルラン
3-クロロ-1,1,4,4,4-ペンタフルオロ-2-オキサブタン · フォーレン · エスカイン · 2-クロロ-2-(ジフルオロメトキシ)-1,1,1-トリフルオロエタン · ホレン · (1-クロロ-2,2,2-トリフルオロエチル)ジフルオロメチルエーテル · 化合物469 · イソフルラン
識別子と物理属性
| CAS No. | 26675-46-7 |
|---|---|
| 分子式 | C3H2ClF5O |
| 平均分子量 | 184.49 g/mol |
| 単同位体質量 | 183.97143346 g/mol |
| SMILES | FC(F)OC(Cl)C(F)(F)F |
| InChIKey | PIWKPBJCKXDKJR-UHFFFAOYSA-N |
| PubChem CID | 3763 |
| ChEMBL | CHEMBL1256 |
| ChEBI | CHEBI:6015 |
| EC No. | 247-897-7 |
| DTXSID | DTXSID3020752 |
| 現地名 | イソフルラン |
化学・物理的性質
| XLogP | 2.1 |
|---|---|
| 極性表面積 | 9.2 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 6 |
| 回転可能結合数 | 2 |
| 重原子数 | 10 |
| 形式電荷 | 0 |
| 複雑度 | 102 |
| 物質分類 | Other Uses -> Waste Anesthetic Gases |
| 医薬品 | PharmaceuticalsPharmaceuticals -> AnestheticsPharmaceuticals -> Nervous system -> Anesthetics |
| LogP（分配係数） | log Kow = 2.062.1 |
| 臭い | Slight odor |
| 密度 | Specific gravity: 1.45Relative density (water = 1): 1.51.510 g/mL at 25 °C |
| Color/Form | Clear, colorless liquid |
| 溶解度 | In water, 4.47X10+3 mg/L at 37 °CEasily miscible with organic liquids including fats and oils3.56e+00 g/LSolubility in water: poor水にほとんど溶けず、エタノールおよびトリクロロエチレンと混和します。クロロホルム、酢酸エチルに可溶。混和しないか、水に混ざりにくい。 |
| Human Drugs | Breast FeedingLactationAnesthetics, InhalationFDA approved drugs -> Active ingredientGeneral anaesthetics and oxygen > Inhalational medicines |
| Animal Drugs | Active Ingredients (Isoflurane) -> FDA GreenbookPharmaceuticals -> UK Veterinary Medicines Directorate List |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| 沸点 | 48.5 °C49 °C119.3 °F |
| Decomposition | When heated to decomposition it emits toxic fumes of /fluorine and chlorine/. |
| 融点 | 48.5°C |
| 蒸気圧 | 238 mmHg ( 20 °C) |
| 屈折率 | 1.3002 |
| 引火点 | 48-49°C |
| 貯蔵条件 | 2-8°C |
| 外観・状態 | liquid |
| 色 | Colorless to Almost colorless |
| 比重 | approximate 1.50 |
| Merck | 14,5175 |
| BRN | 1852087 |
| ヘンリー定数 | 2.4×10-4 mol/(m3Pa) at 25℃, Fogg and Sangster (2003) |
| 安定性 | 安定。 |
| InChI | 1S/C3H2ClF5O/c4-1(3(7,8)9)10-2(5)6/h1-2H |
| InChIKey | PIWKPBJCKXDKJR-UHFFFAOYSA-N |
| SMILES | FC(F)OC(Cl)C(F)(F)F |
| CAS データベース | 26675-46-7(CAS DataBase Reference) |
| NISTの化学物質情報 | 1-Chloro-2,2,2-trifluoroethyl difluoromethyl ether(26675-46-7) |
| EPAの化学物質情報 | Isoflurane (26675-46-7) |
化学的特性
colourless liquid
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 2.9% (3 of 103) of reports.WarningH336 (93.2%): May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposureNarcotic effects]P260, P261, P271, P304+P340, P319, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 103 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | Isoflurane: Does not have an individual approval but may be used under an appropriate group standard |
| 火災危険 | Not combustible. Gives off irritating or toxic fumes (or gases) in a fire. |
| 有害性の概要 | A skin, eye, and respiratory tract irritantMay cause CNS and cardiovascular system effects[ICSC] Occupational asthma confirmed three workers exposed to Sevoflurane and Isoflurane[Malo] 2021 TLV Basis: embryo damage, maternal body weight effects, CNS impairment[ACGIH] Mice exposed to concentrations of 0.6% for 4hr/day during gestation produced smaller litters, delayed ossification, and increased frequency of cleft palate (maternal toxicity shown by weight reduction)Chronic exposure of mice to low anesthetic or sub-anesthetic doses demonstrated no evidence of effects male or female fertility, reproductive loss, or early postnatal fetal wastageA more recent study associated chronic exposure with fetal growth retardationChronic exposure in rabbits produced significantly reduced sperm concentrations and motility[REPROTOX] May cause drowsiness or dizziness[Abbott Laboratories MSDS] |
| FDA 要件 | Isoflurane: ... For induction and maintenance of general anesthesia in horses and dogs.The Approved Drug Products with Therapeutic Equivalence Evaluations identifies currently marketed prescription drug products, including isoflurane, approved on the basis of safety and effectiveness by FDA under sections 505 of the Federal Food, Drug, and Cosmetic Act.The Generic Animal Drug and Patent Restoration act requires that each sponsor of an approved animal drug must submit to the FDA certain information regarding patents held for the animal drug or its method of use. The Act requires that this information, as well as a list of all animal drug products approved for safety and effectiveness, be made available to the public. Isoflurane is included on this list. |
用途
解説
…深い麻酔下の過換気で中枢神経を刺激する作用がある。(5)イソフルレンisoflurane 1970年代にアメリカで開発された。ほかの揮発性麻酔薬の長所をすべてもっているが，麻酔後に肝臓障害が起こることがある。…株式会社平凡社 世界大百科事典 第２版について | 情報
用途
中枢神経系に作用して麻酔作 用を示す化合物です。
用途
中枢神経系に作用して麻酔作 用を示す化合物です。
使用
Isoflurane is a halogenated ether used for inhalational anesthesia. Recent studies suggest that there might be a relationship between administration of isoflurane and postoperative cognitive dysfunct ion (POCD).
一般的な説明
Isoflurane is a volatile liquid (bp＝48.5°C) with an MAC of1.15, a blood:gas partition coefficient of 1.43 and high solubilityin fat. Isoflurane is a structural isomer of enflurane. Itis a known respiratory irritant, but less so than desflurane.Approximately 0.2% of the administered drug undergoesmetabolism, the rest is exhaled unchanged. The metabolismof isoflurane yields low levels of the nephrotoxic fluoride ionas well as a potentially hepatotoxic trifluoroacetylating compound). The relatively low concentrations ofthese compounds have resulted in very low risks of hepatotoxicityand nephrotoxicity. There have been no reports ofseizures caused by isoflurane and only transient increases inheart rate have been reported.