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Vecuroniumbromid
vecuronium · norcuron · Vecuronim Bromide · VBMC · nc-45 · orgnc45 · Musculax · Muscurate
Identifikatoren & physikalische Daten
| CAS No. | 50700-72-6 |
|---|---|
| Summenformel | C34H57BrN2O4 |
| Durchschnittliche Molmasse | 637,7 g/mol |
| Monoisotopische Masse | 636,35017 g/mol |
| SMILES | CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H]([N+]3(C)CCCCC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1N1CCCCC1.[Br-] |
| InChIKey | VEPSYABRBFXYIB-PWXDFCLTSA-M |
| PubChem CID | 39764 |
| ChEMBL | CHEMBL1200629 |
| ChEBI | CHEBI:9940 |
| EC No. | 256-723-9 |
| DTXSID | DTXSID1023736 |
| Lokaler Name | Vecuroniumbromid |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 55,8 |
|---|---|
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 41 |
| Formalladung | 0 |
| Komplexität | 958 |
| Human Drugs | Breast FeedingLactationMuscle RelaxantsNeuromuscular Nondepolarizing AgentsFDA approved drugs -> Active ingredient |
| Collision Cross Section | 248.4 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
| Schmelzpunkt | 227-229°C |
| Lagerbedingungen | Inert atmosphere,Store in freezer, under -20°C |
| Löslichkeit | Slightly soluble in water, freely soluble in methylene chloride, sparingly soluble in acetonitrile and in anhydrous ethanol. |
| Aggregatzustand | Solid |
| Farbe | White |
| Biologische Quelle | synthetic |
| Merck | 14,9941 |
| BRN | 4837308 |
| Stabilität | Hygroscopic |
| InChIKey | VEPSYABRBFXYIB-PWXDFCLTSA-M |
| SMILES | [Br-].CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@@H]([C@@H]4OC(C)=O)[N+]5(C)CCCCC5)[C@@]2(C)C[C@@H]1N6CCCCC6 |
| CAS Datenbank | 50700-72-6(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (98.4%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P264, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P316, P317, P320, P321, P330, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 62 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (98.4%) |
| Drug Induced Liver Injury | Drug Induced Liver Injury Rank (DILIrank 2.0)Vecuronium bromidevNo-DILI-concernNo matchDOI:10.1016/j.drudis.2016.02.015 |
| Effects During Pregnancy and Lactation | ◉ Summary of Use during Lactation |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2933399090 |
| RTECS-Nr. | TN4875000 |
| R-Sätze (R) | 36/37/38-22 |
| Toxizität | LD50 in mice: 0.061 mg/kg i.v. (Buckett) |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 Oral |
Anwendungen & Verwendung
Beschreibung
Vecuronium, 1-[(2β,3α,5α,16β,17β,)-3,17-bis(acetyloxy)-2-(1-piperidinyl) androstan-16-yl]-1-methylpiperidinium bromide (15.1.9), differs from panuronium only in the extent of alkylation. Only the piperidine substituent on C16 of the steroid skeleton is transformed into a quaternary salt.
Verwenden
An aminosteroid, competitive neuromuscular blocker agent.