基本情報
- CAS
96946-42-8- 標準SMILES
COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@+]2(C)CCC(=O)OCCCCCOC(=O)CC[N@@+]2(C)CCc3cc(OC)c(OC)cc3[C@H]2Cc2ccc(OC)c(OC)c2)cc1OC.O=S(=O)([O-])c1ccccc1.O=S(=O)([O-])c1ccccc1- InChIKey
XXZSQOVSEBAPGS-DONVQRBFSA-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
- Cisatracurium Besylate
- IUPAC
- benzenesulfonate;5-[3-[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyloxy]pentyl 3-[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate
- 現地名
- ベシル酸シサトラクリウム
- 英語名
- Cisatracurium besylate
- 分子式
- C53H72N2O12.2C6H5O3S
- 分子量
- 1243.49
名称と別名
Cisatracurium besylate96946-42-8Cisatracurium besilateNimbex51W89NIMBEX PRESERVATIVE FREECisatracurium (as besilate)80YS8O1MBSBesilato de cisatracurioBesilate de cisatracurium51-W8951-W-89
名称をさらに表示
ベシル酸シサトラクリウムベシル酸シサトラクリウム (〜90%)Cisatracurium1 kg - 1.5kgCis-AttacuriuMMikhail Zayats(1R,1'R,2R,2'R)-Cisatracurium besyLCisatracurium besylaCisatrcurium Besylate
Cisatracurium Besylate Preservative FreeCHEBI:3721(1R,2R)-2-(2-Carboxyethyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-veratrylisoquinolinium benzenesulfonate, pentamethylene esterDTXSID1089504551W-89(1R,2R,1'R,2'R)-2,2'-(PENTANE-1,5-DIYLBIS(OXY(3-OXOPROPANE-3,1-DIYL)))BIS(1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXY-2-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINIUM) BISBENZENESULFONATE(1R,2R,1'R,2'R)-2,2'-{pentane-1,5-diylbis[oxy(3-oxopropane-3,1-diyl)]}bis[1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolinium] bisbenzenesulfonateCisatracurii besilas
データベース識別子
- CAS
96946-42-8- PubChem CID
- 62886
- DTXSID
DTXSID10895045- ChEMBL
CHEMBL1200641- ChEBI
CHEBI:3721- UNII
- 80YS8O1MBS、Y78PS7MEDE
- EC Number
- 620-579-9
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
物理化学的性質
- 融点
- 90 · 90-93°C
- 貯蔵温度
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- 溶解性
- 2 O: · H2O: ソリュブル1mg/mL
- 外見
- Powder
- 色
- 白い
- 主な用途
- 医薬品（低分子化合物）
- InChIKey
- XXZSQOVSEBAPGS-UHFFFAOYSA-L
化学的性質
化学的特性White Solid
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
Danger
H301 (94.9%): Toxic if swallowed [Danger Acute toxicity, oral]；H319 (42.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 98 reports by companies from 9 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. 3 (94.9%)；Eye Irrit. 2 (42.9%)
毒性情報
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Cisatracurium besylate
vNo-DILI-concern
0
No match
DOI:10.1016/j.drudis.2016.02.015
Effects During Pregnancy and Lactation
◉ Summary of Use during Lactation；No information is available on the use of cisatracurium 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 a cisatracurium 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.
安全データ
- wgk
- 3
- ridadr
- UN 2811 6.1 / PGIII
- hs_code
- 29145090
- risk_code
- 25-36
- hazard_code
- T
- safety_code
- 45
- Hazard Classifications
- Acute Tox. 3 Oral
- ストレージクラス
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
化学と産業
薬理情報
FDA Pharmacological Classification
CISATRACURIUM BESYLATE
Neuromuscular Nondepolarizing Blockade [PE]; Nondepolarizing Neuromuscular Blocker [EPC]
MeSH Pharmacological Classification
Drugs that interrupt transmission of nerve impulses at the skeletal neuromuscular junction. They can be of two types, competitive, stabilizing blockers (NEUROMUSCULAR NONDEPOLARIZING AGENTS) or noncompetitive, depolarizing agents (NEUROMUSCULAR DEPOLARIZING AGENTS). Both prevent acetylcholine from triggering the muscle contraction and they are used as anesthesia adjuvants, as relaxants during electroshock, in convulsive states, etc.
用途と製造
UsesUse (kg; approx.) in Germany (2009): >10；Consumption (g per capita; approx.) in Germany (2009): 0.000122；Calculated removal (%): 99.7
応用分野
説明Cisatracurium besylate is a new intermediate-duration non-depolarizing muscle relaxant launched in the U.S.A. for intubation and maintenance of muscle relaxation during surgery and intensive care. Cisatracurium besylate is the single 1 R cis-1'R cis isomer of the commercial preparation of atracurium, a mixture of 10 isomers. It is 3 to 5 times more potent than the mixture with similar onset and duration of action. The single isomer was also reported to have reduced propensity to release histamine and have a stable cardiovascular profile. Similar to structurally related mivacurium, cisatracurium has distinct advantages of rapid degradation, enzymatic metabolism that is independent of liver or kidney resulting in short duration of action and fast, complete recovery.
使用Cisatracurium Besylate is a nondepolarizing neuromuscular blocking agent, antagonizing the action of acetylcholine by inhibiting neuromuscular transmission.
上流・下流製品情報
上流原料
サプライヤー100 社
LGM Pharma1-(800)-881-8210 · [email protected]
大连美仑生物技术有限公司0411-62910999 13889544652 · [email protected]
广州市亿邦医药科技有限公司+86 (20) 28996708,29078958,28139708,29076128,28133708,28139728,28139738,28133718,021-31663278,021-31663578,021-60538387
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
China Kouting Group Limited+86 (21) 5811-6473 5811-6475 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
上海药坦药物研究开发有限公司15512780135
上海攀鸿化工科技有限公司021-56491756 13512199871 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
武汉科美沃化工有限公司027-85736489 · [email protected]
苏州思变化学技术有限公司0512-65617459 18915409046 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
上海诺宝化工有限公司+86(0)21 60484900
广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
南京生利德生物科技有限公司025-57798810 18652991625 · [email protected]
济南铭雅医药科技有限公司0531-85828981 · [email protected]
湖北威德利化学试剂有限公司186-02735115 18602735115 · [email protected]
湖北鑫源顺医药化工有限公司13971561712, 13995564702, 027-50664929 · [email protected]
上海将来实业股份有限公司021-61552785 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
上海创赛科技有限公司400-6087598 15021221957 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
上海洽凡生化科技有限公司+86-021-61654350 · [email protected]
东阳市鸿森科技有限公司+86-0579-86846643 18072368515 · [email protected]
上海孚一生物科技有限公司+86 (21) 61124340
凯试（上海）科技有限公司021-50135380 · [email protected]
湖北巨胜科技有限公司027-59599241 18871490274 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
济南凯化化工有限公司0531-86986780 13153183025 · [email protected]
南京熙泽医药科技有限公司025-66023220 15250997978 · [email protected]
上海泽涵生物医药科技有限公司021-61350663 13052117465 · [email protected]
南京伶亚生物医药科技有限公司18068075658 · [email protected]
TargetMol中国（陶术生物）021-021-33632979 15002134094 · [email protected]
上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]
上海皓之翔生物科技有限公司（原上海拓青化工有限公司）526763801 13301653310 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
杭州鼎燕化工有限公司0571-87157530-8003 18049756717 · [email protected]
上海昕化医药科技有限公司021-50211651 13651607026
南京艾比克斯生化科技有限公司025-87193546 18652950785 · [email protected]
药渡经纬信息科技(北京)有限公司+86-400-851-9921 · [email protected]
上海思言生物科技有限公司021-50908862，442785678，326799392 18721037013 · [email protected]
補足説明
定義ChEBI: The (1R,1'R,2R,2'R)-diastereoisomer of atracurium besylate. Commercial preparations of atracurium are mixtures of 10 stereoisomers, of which cisatracurium generally constitutes about 15%. isatracurium besylate is about 3 times more potent than the mixture of atracurium isomers as a neuromuscular blocking agent, and is used as a muscle relaxant for endotracheal intubation, to aid controlled ventilation, and in general anaesthesia.
関連反応
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化合物ノート
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