基本情報
- CAS
116-38-1- 標準SMILES
CC[N+](C)(C)c1cccc(O)c1.[Cl-]- InChIKey
BXKDSDJJOVIHMX-UHFFFAOYSA-N- 分子式
- C10H16ClNO
- 平均分子量
- 201.69 g/mol
- 単同位体質量
- 201.0920418
概要
Edrophonium chloride is the chloride salt of edrophonium. A reversible inhibitor of cholinesterase with a rapid onset (30-60 seconds after injection) but a short duration of action (5-15 minutes), it is used in myasthenia gravis both diagnostically and to distinguish between under- or over-treatment with other anticholinesterases. It has also been used for the reversal of neuromuscular blockade in anaesthesia, and for the management of poisoning due to tetrodotoxin, a neuromuscular blocking toxin found in puffer fish and other marine animals. It has a role as a diagnostic agent, an EC 3.1.1.8 (cholinesterase) inhibitor and an antidote. It is a chloride salt and a quaternary ammonium salt. It contains an edrophonium.
名称と識別子
- 優先名称
- Edrophonium Chloride
- IUPAC
- ethyl-(3-hydroxyphenyl)-dimethylazanium chloride
- 現地名
- エドロホニウム塩化物
- 英語名
- Edrophonium chloride
- 分子式
- C10H16ClNO
- 分子量
- 201.69
名称と別名
Edrophonium chloride116-38-1AntirexEnlonReversolEdrophonii chloridumCloruro de edrofonioChlorure d'edrophoniumN-ethyl-3-hydroxy-N,N-dimethylanilinium chlorideEthyl(m-hydroxyphenyl)dimethylammonium chlorideEdrofonio cloruroBenzenaminium, N-ethyl-3-hydroxy-N,N-dimethyl-, chloride
名称をさらに表示
N-エチル-3-ヒドロキシ-N,N-ジメチルベンゼンアミニウム·クロリド塩化エドロホニウムジメチルエチル(m-ヒドロキシフェニル)アンモニウムクロライドエドロホニウムクロリドアンチレクスエドロホニウム塩化物エドロホニウム塩化物 (JP17)N-エチル-3-ヒドロキシ-N,N-ジメチルベンゼンアミニウム・クロリドEdrophoniumtensilonTensilon ChlorideEdrophonium Chloride RSEdrophonium chloride CRSEdrophonium Chloride (200 mg)
DTXSID1022978TENSILON PRESERVATIVE FREEQO611KSM5PEdrophonium Chloride Preservative FreeNSC-759577CHEBI:4759DTXCID302978Camsilon
データベース識別子
- CAS
116-38-1- PubChem CID
- 8307
- DTXSID
DTXSID1022978- ChEMBL
CHEMBL1128- ChEBI
CHEBI:4759- UNII
- QO611KSM5P
- EC Number
- 204-138-4
物性
構造計算による物性
- 極性表面積
- 20.2 Ų
- 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
- 2
- 重原子数
- 13
- 形式電荷
- 0
- 複雑度
- 145
実験および物理化学的性質
Solubility>30.3 [ug/mL] (The mean of the results at pH 7.4)
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Collision Cross Section135.7 Ų [M]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
物理化学的性質
- 融点
- 162 · 162-163 °C (decomp)
- 比重(密度)
- 1.0787 · 1.0787 (rough estimate)
- 屈折率
- 1.6 · 1.6000 (estimate)
- 貯蔵温度
- Inert atmosphere,Room Temperature
- 溶解性
- 水に非常に溶けやすく、エタノール (96%) に溶け、ジクロロメタンにほとんど溶けない。
- 外見
- A crystalline solid
- 色
- White to light yellow
- InChI
- 1S/C10H15NO.ClH/c1-4-11(2,3)9-6-5-7-10(12)8-9;/h5-8H,4H2,1-3H3;1H
- InChIKey
- BXKDSDJJOVIHMX-UHFFFAOYSA-N
- SMILES
- OC1=CC=CC([N+](CC)(C)C)=C1.[Cl-]
- CAS データベース
- 116 · 116-38-1(CAS DataBase Reference)
化学的性質
化学的特性White or almost white, crystalline powder
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
危険有害性情報
Regulatory InformationBenzenaminium, N-ethyl-3-hydroxy-N,N-dimethyl-, chloride: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
毒性情報
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Edrophonium chloride
vNo-DILI-concern
0
No match
DOI:10.1016/j.drudis.2016.02.015
安全データ
- wgk
- 3
- rtecs
- BQ5870000
- 毒性
- mouse,LD50,intraperitoneal,30mg/kg (30mg/kg),Pharmaceutical Chemistry Journal Vol. 10, Pg. 327, 1976.
- hs_code
- 2923900100
- ストレージクラス
- 11 - Combustible Solids
化学と産業
薬理情報
MeSH Pharmacological Classification
Agents counteracting or neutralizing the action of POISONS.
Drugs that inhibit cholinesterases. The neurotransmitter ACETYLCHOLINE is rapidly hydrolyzed, and thereby inactivated, by cholinesterases. When cholinesterases are inhibited, the action of endogenously released acetylcholine at cholinergic synapses is potentiated. Cholinesterase inhibitors are widely used clinically for their potentiation of cholinergic inputs to the gastrointestinal tract and urinary bladder, the eye, and skeletal muscles; they are also used for their effects on the heart and the central nervous system.
応用分野
使用Pharmacologically, edrophonium is also similar to neostigmine; however, it begins to act quicker and is shorter lasting.
使用A reversible Acetylcholinesterase inhibitor.
一般的な説明Edrophonium chloride,ethyl(m-hydroxyphenyl)dimethylammonium chloride(Tensilon), is a reversible anticholinesterase agent. It isbitter and very soluble in water and alcohol. Edrophoniumchloride injection has a pH of 5.2 to 5.5. On parenteral administration,edrophonium has a more rapid onset andshorter duration of action than neostigmine, pyridostigmine,or ambenonium. It is a specific anticurare agent andacts within 1 minute to alleviate overdose of d-tubocurarine,dimethyl d-tubocurarine, or gallamine triethiodide.
上流・下流製品情報
上流原料
サプライヤー84 社
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補足説明
定義ChEBI: The chloride salt of edrophonium. A reversible inhibitor of cholinesterase with a rapid onset (30-60 seconds after injection) but a short duration of action (5-15 minutes), it is used in myasthenia gravis both diagnostically and to distinguish between unde - or over-treatment with other anticholinesterases. It has also been used for the reversal of neuromuscular blockade in anaesthesia, and for the management of poisoning due to tetrodotoxin, a neuromuscular blocking toxin found in puffer fish and other mari e animals.
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