Cisatracurium Besylate
Grundinformationen
- CAS
96946-42-8- Standard-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- Summenformel
- C65H82N2O18S2
- Durchschnittliche Molmasse
- 1.243,5 g/mol
- Monoisotopische Masse
- 1.242,50040612
Namen und Bezeichner
- Bevorzugter Name
- 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
- Englischer Name
- Cisatracurium besylate
- Summenformel
- C53H72N2O12.2C6H5O3S
- Molmasse
- 1243.49
Namen und Synonyme
Cisatracurium besylate96946-42-8Cisatracurium besilateNimbex51W89NIMBEX PRESERVATIVE FREECisatracurium (as besilate)80YS8O1MBSBesilato de cisatracurioBesilate de cisatracurium51-W8951-W-89
Weitere Namen anzeigen
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
Datenbank-Bezeichner
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 258 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 18
- Frei drehbare Bindungen
- 26
- Schwere Atome
- 87
- Formalladung
- 0
- Komplexität
- 1.560
Physikochemische Eigenschaften
- Schmelzpunkt
- 90 · 90-93°C
- storage temp.
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- Löslichkeit
- 2 O: · H2O: soluble1mg/mL
- Aggregatzustand
- Powder
- Farbe
- white
- Major Application
- pharmaceutical (small molecule)
- InChIKey
- XXZSQOVSEBAPGS-UHFFFAOYSA-L
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
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.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 3 (94.9%)；Eye Irrit. 2 (42.9%)
Toxikologische Informationen
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.
Chemie und Industrie
Pharmakologische Informationen
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.
Verwendung und Herstellung
UsesUse (kg; approx.) in Germany (2009): >10；Consumption (g per capita; approx.) in Germany (2009): 0.000122；Calculated removal (%): 99.7
Anwendungen
BeschreibungCisatracurium 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.
VerwendenCisatracurium Besylate is a nondepolarizing neuromuscular blocking agent, antagonizing the action of acetylcholine by inhibiting neuromuscular transmission.
Zugehörige Reaktionen
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