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ベシル酸アトラクリウム

Atracurium Besylate

HCID 47320
ノート反応
基本情報名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
部分構造検索類似構造を探す

基本情報

CAS
64228-81-5
標準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
分子式
C65H82N2O18S2
平均分子量
1,243.5 g/mol
単同位体質量
1,242.50040612

名称と識別子

優先名称
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
現地名
ベシル酸アトラクリウム
英語名
Atracurium besylate
分子式
C65H82N2O18S2
分子量
1243.48

名称と別名

Atracurium besylate64228-81-5Atracurium besilateAtracurium DibesylateBesilato de atracurioAtracurii besilasBesilate d'atracuriumBW 33ABW-33ATracrium Preservative FreeAtracurium Besylate Preservative FreeDTXSID6022630
名称をさらに表示
2,2'-[ペンタン-1,5-ジイルビス[オキシ(3-オキソ-3,1-プロパンジイル)]]ビス[1-[(3,4-ジメトキシフェニル)メチル]-1,2,3,4-テトラヒドロ-6,7-ジメトキシ-2-メチルイソキノリン-2-イウム]·2ベンゼンスルホン酸塩アトラクリウムベシラートベシル酸アトラクリウムアトラクリウムベシル酸塩 (異性体混合物)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

物性

構造計算による物性

極性表面積
258 Ų
水素結合供与体数
0
水素結合受容体数
18
回転可能結合数
26
重原子数
87
形式電荷
0
複雑度
1,560

実験および物理化学的性質

SolubilityMiscible
Melting Point85-90

物理化学的性質

融点
85 · 85-90°C
貯蔵温度
2 · Inert atmosphere,2-8°C
溶解性
2 O: · H2O: ~27 mg/mL
外見
粉
色
白い
主な用途
医薬品(低分子化合物)
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
CAS データベース
64228 · 64228-81-5(CAS DataBase Reference)

化学的性質

化学的特性White to yellowish-white powder, slightly hygroscopic

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。

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

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

毒性情報

Effects During Pregnancy and Lactation · 1 件

◉ 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.

化学と産業

薬理情報

Pharmacodynamics · 1 件

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 · 1 件

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 · 2 件

ATRACURIUM BESYLATE

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

MeSH Pharmacological Classification · 2 件

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.

関連反応

2 件
反応記録を作成
HRID 1808316 の反応式
HRID 1808316反応物としてuspto-grants-2013_01
HRID 2067921 の反応式
HRID 2067921反応物としてuspto-grants-2012_10

化合物ノート

読み込み中…

このページの内容基本情報名称と識別子物性安全と法規制化学と産業関連反応化合物ノート

データベース識別子

CAS
64228-81-5
PubChem CID
47320
DTXSID
DTXSID6022630
ChEMBL
CHEMBL1200527
ChEBI
CHEBI:2915
EC Number
264-743-4

安全データ

wgk
3
hs_code
29334900
safety_code
24/25
ストレージクラス
11 - Combustible Solids

用途と製造

Uses · 2 件

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

応用分野 · 2 件

使用A neuromuscular blocking agent

一般的な説明Atracurium 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.

上流・下流製品情報

上流原料

トリエチルアミン塩酸塩ベンゼンスルホン酸メチルキシナホ酸サルメテロールAnhydrous benzeneパパベリンアクリロイルクロリドピロガロール1,5-ペンタンジオールN6-ベンジルアデニンspectrumrac-(1R*)-1,2,3,4-テトラヒドロ-1-(3,4-ジメトキシベンジル)-6,7-ジメトキシイソキノリン(1R,2R,3aS,9aS)-2,3,3a,4,9,9a-Hexahydro-1-[(3S)-3-hydroxyoctyl]-1H-benz[f]indene-2,5-diol1,5-ジアミノペンタン二塩酸塩

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補足説明

定義ChEBI: The bisbenzenesulfonate salt of atracurium.