기본 정보
- CAS
116-38-1- 표준 SMILES
CC[N+](C)(C)c1cccc(O)c1.[Cl-]- InChIKey
BXKDSDJJOVIHMX-UHFFFAOYSA-N- 분자식
- C10H16ClNO
- 평균 분자량
- 201.69 g/mol
- 단동위원소 질량
- 201.0920418
개요
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.
이름 및 식별자
- 우선 이름
- Edrophonium Chloride
- IUPAC
- ethyl-(3-hydroxyphenyl)-dimethylazanium chloride
- 현지명
- 에스포로늄클로라이드
- 영어명
- Edrophonium chloride
- 분자식
- C10H16ClNO
- 분자량
- 201.69
이름 및 동의어
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
이름 더 보기
에스포로늄클로라이드EdrophoniumtensilonTensilon ChlorideEdrophonium Chloride RSEdrophonium chloride CRSEdrophonium Chloride (200 mg)
DTXSID1022978TENSILON PRESERVATIVE FREEQO611KSM5PEdrophonium Chloride Preservative FreeNSC-759577CHEBI:4759DTXCID302978Camsilon
데이터베이스 식별자
- CAS
116-38-1- PubChem CID
- 8307
- DTXSID
DTXSID1022978- ChEMBL
CHEMBL1128
물성
구조 계산 물성
- 극성 표면적
- 20.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 145
실험 및 물리화학적 성질
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]
물리화학적 성질
- 녹는점
- 162 · 162-163 °C (decomp)
- 밀도
- 1.0787 · 1.0787 (rough estimate)
- 굴절률
- 1.6 · 1.6000 (estimate)
- 저장 조건
- Inert atmosphere,Room Temperature
- 용해도
- 물에 매우 잘 녹고, 에탄올(96%)에 잘 녹으며, 염화메틸렌에는 거의 녹지 않습니다.
- 물리적 상태
- 결정성 고체
- 색상
- 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-]
화학적 성질
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
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.
독성 정보
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
안전 데이터
- wgk
- 3
- rtecs
- BQ5870000
- 독성
- mouse,LD50,intraperitoneal,30mg/kg (30mg/kg),Pharmaceutical Chemistry Journal Vol. 10, Pg. 327, 1976.
- HS 번호
- 2923900100
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
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.
응용 분야
용도Pharmacologically, edrophonium is also similar to neostigmine; however, it begins to act quicker and is shorter lasting.
용도A reversible Acetylcholinesterase inhibitor.
일반 설명Edrophonium 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.
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