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Atracurium Besylate

HCID 47320
노트반응
기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
64228-81-5
표준 SMILES
COc1ccc(CC2c3cc(OC)c(OC)cc3CC[N+]2(C)CCC(=O)OCCCCCOC(=O)CC[N+]2(C)CCc3cc(OC)c(OC)cc3C2Cc2ccc(OC)c(OC)c2)cc1OC.O=S(=O)([O-])c1ccccc1.O=S(=O)([O-])c1ccccc1
InChIKey
XXZSQOVSEBAPGS-UHFFFAOYSA-L
분자식
C65H82N2O18S2
평균 분자량
1,243.5 g/mol
단동위원소 질량
1,242.50040612

이름 및 식별자

우선 이름
Atracurium Besylate
IUPAC
benzenesulfonate;5-[3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyloxy]pentyl 3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate
영어명
Atracurium besylate
분자식
C65H82N2O18S2
분자량
1243.48

이름 및 동의어

Atracurium besylate64228-81-5Atracurium besilateAtracurium DibesylateBesilato de atracurioAtracurii besilasBesilate d'atracuriumBW 33ABW-33ATracrium Preservative FreeAtracurium Besylate Preservative FreeDTXSID6022630
이름 더 보기
Atracurim besylate51W89TracurTRACRIUM51W-89:NimbexWellcome 33A74Atracurium BesyLtracurium Besylate
benzenesulfonate;5-[3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyloxy]pentyl 3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoateNSC-760047WELLCOME 33-A-74CHEBI:2915DTXCID30263040AX66P76Patracurio besilatobenzenesulfonate;5-(3-(1-((3,4-dimethoxyphenyl)methyl)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)propanoyloxy)pentyl 3-(1-((3,4-dimethoxyphenyl)methyl)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)propanoate

데이터베이스 식별자

CAS

물성

구조 계산 물성

극성 표면적
258 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
18
회전 가능 결합 수
26
무거운 원자 수
87
형식 전하
0
복잡도
1,560

실험 및 물리화학적 성질

SolubilityMiscible
Melting Point85-90

물리화학적 성질

녹는점
85 · 85-90°C
저장 조건
2 · Inert atmosphere,2-8°C
용해도
2 O: · H2O: ~27 mg/mL
물리적 상태
가루
색상
하얀색
주요 응용
의약품(소분자)
InChIKey
YXSLJKQTIDHPOT-UHFFFAOYSA-N
SMILES
[O-]S(=O)(=O)c1ccccc1.[O-]S(=O)(=O)c2ccccc2.COc3ccc(CC4c5cc(OC)c(OC)cc5CC[N+]4(C)CCC(=O)OCCCCCOC(=O)CC[N+]6(C)CCc7cc(OC)c(OC)cc7C6Cc8ccc(OC)c(OC)c8)cc3OC

화학적 성질

White to yellowish-white powder, slightly hygroscopic

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 5건

Danger

H300 (24.3%): Fatal if swallowed [Danger Acute toxicity, oral];H301 (70.3%): Toxic if swallowed [Danger Acute toxicity, oral];H310 (25.7%): Fatal in contact with skin [Danger Acute toxicity, dermal];H330 (25.7%): Fatal if inhaled [Danger Acute toxicity, inhalation]

P260, P262, P264, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P316, P320, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 74 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 2 (24.3%);Acute Tox. 3 (70.3%);Acute Tox. 2 (25.7%);Acute Tox. 2 (25.7%)

독성 정보

Effects During Pregnancy and Lactation · 1건

◉ Summary of Use during Lactation;No information is available on the use of atracurium during breastfeeding. Because it is short acting, highly polar and poorly absorbed orally, it is not likely to reach the breastmilk in high concentration or to reach the bloodstream of the infant. When a combination of anesthetic agents is used for a procedure, follow the recommendations for the most problematic medication used during the procedure. Consider using an atracurium product that has no benzyl alcohol preservative.;◉ Effects in Breastfed Infants;Relevant published information was not found as of the revision date.;◉ Effects on Lactation and Breastmilk;Relevant published information was not found as of the revision date.

화학 및 산업

약리 정보

Pharmacodynamics · 1건

Atracurium is a nondepolarizing skeletal muscle relaxant. Atracurium can be used most advantageously if muscle twitch response to peripheral nerve stimulation is monitored to assess degree of muscle relaxation. The duration of neuromuscular block produced by Atracurium is approximately one third to one half the duration of block by d-tubocurarine, metocurine, and pancuronium at initially equipotent doses. As with other nondepolarizing neuromuscular blockers, the time to onset of paralysis decreases and the duration of maximum effect increases with increasing doses of Atracurium. Repeated administration of maintenance doses of Atracurium has no cumulative effect on the duration of neuromuscular block if recovery is allowed to begin prior to repeat dosing. Moreover, the time needed to recover from repeat doses does not change with additional doses. Repeat doses can therefore be administered at relatively regular intervals with predictable results.

Mechanism of Action · 1건

Atracurium antagonizes the neurotransmitter action of acetylcholine by binding competitively with cholinergic receptor sites on the motor end-plate. This antagonism is inhibited, and neuromuscular block reversed, by acetylcholinesterase inhibitors such as neostigmine, edrophonium, and pyridostigmine.

Biological Half-LifeThe elimination half-life is approximately 20 minutes.
FDA Pharmacological Classification · 2건

ATRACURIUM BESYLATE

Neuromuscular Nondepolarizing Blockade [PE]; Nondepolarizing Neuromuscular Blocker [EPC]

MeSH Pharmacological Classification · 2건

Drugs that interrupt transmission at the skeletal neuromuscular junction without causing depolarization of the motor end plate. They prevent acetylcholine from triggering muscle contraction and are used as muscle relaxants during electroshock treatments, in convulsive states, and as anesthesia adjuvants.

Drugs that bind to nicotinic cholinergic receptors (RECEPTORS, NICOTINIC) and block the actions of acetylcholine or cholinergic agonists. Nicotinic antagonists block synaptic transmission at autonomic ganglia, the skeletal neuromuscular junction, and at central nervous system nicotinic synapses.

관련 반응

2건
반응 기록 만들기
HRID 1808316 반응식
HRID 1808316반응물로uspto-grants-2013_01
HRID 2067921 반응식
HRID 2067921반응물로uspto-grants-2012_10

화합물 노트

불러오는 중…

이 페이지에서기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
64228-81-5
PubChem CID
47320
DTXSID
DTXSID6022630
ChEMBL
CHEMBL1200527
ChEBI
CHEBI:2915
EC Number
264-743-4

안전 데이터

wgk
3
HS 번호
29334900
safety_code
24/25
스토리지 클래스
11 - Combustible Solids

용도 및 제조

Uses · 2건

Use (kg; approx.) in Germany (2009): >75;Consumption (g per capita; approx.) in Germany (2009): 0.000916;Calculated removal (%): 99.7

Use (kg; approx.) in Germany (2009): >10;Consumption (g per capita; approx.) in Germany (2009): 0.000122;Calculated removal (%): 99.7

응용 분야 · 2건

용도A neuromuscular blocking agent

일반 설명Atracurium besylate, 2-(2-carboxyethyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-veratrylisoquinolinium benzenesulfonate pentamethyleneester (Tracrium), is a nondepolarizing neuromuscular blockingagent that is approximately 2.5 times more potent thand-tubocurarine. Its duration of action (half-life, 0.33 hours)is much shorter than that of d-tubocurarine.

상·하류 제품 정보

상류 원료

트리에틸아민 하이드로클로라이드Methyl benzenesulfonate살메테롤시나포에이트Anhydrous benzenePAPAVERINE아크릴일클로라이드피로갈롤1,5-펜탄디올6-벤질아미노퓨린spectrum(+/-)-Tetrahydropapaverine(1R,2R,3aS,9aS)-2,3,3a,4,9,9a-Hexahydro-1-[(3S)-3-hydroxyoctyl]-1H-benz[f]indene-2,5-diol1,5-Diaminopentane dihydrochloride

공급사100 곳

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추가 설명

정의ChEBI: The bisbenzenesulfonate salt of atracurium.