HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-((2Beta,3alpha,5alpha,16beta,17beta)-3-(acetyloxy)-17-hydroxy-2-(4-morpholinyl)androstan-16-YL)-1-(2-propenyl)pyrrolidinium bromide
Rocuronium EP Impurity E · Rocuronium impurity E · WXZVCMSZGNGDKJ-FMCCZJBLSA-M · Rocuronium bromide EP impurity E · Rocuronium Bromide Intermediate E · 1-((2S,3S,5S,8R,9S,10S,13S,14S,16S,17R) · Rocuronium Bromide EP Impurity E Bromide · Rocuronium Bromide Impurity 5(EP Impurity E)
Identifiers & Physical Properties
| CAS No. | 1190105-65-7 |
|---|---|
| Molecular formula | C32H53BrN2O3 |
| Average molar mass | 593.7 g/mol |
| SMILES | C=CC[N+]1([C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)[C@@H](N6CCCC6)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(C)=O)CCCC1.[Br-] |
| InChIKey | WXZVCMSZGNGDKJ-FMCCZJBLSA-M |
| PubChem CID | 126455958 |
| EC No. | 806-461-1 |
Chemical & Physical Properties
| Topological polar surface area | 49.8 |
|---|---|
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 6 |
| Heavy atoms | 38 |
| Formal charge | 0 |
| Complexity | 879 |
| Melting point | >151°C (dec.) |
| Storage conditions | Hygroscopic, -20°C Freezer, Under inert atmosphere |
| Solubility | Chloroform (Slightly), Methanol (Slightly, Sonicated), Water (Slightly) |
| Physical state | Solid |
| Color | White to Light Beige |
| Stability | Hygroscopic |
| GHS pictogram | GHS06 |
| Signal word | Danger |
| GHS hazard statements | H310-H330-H300 |
| GHS precautionary statements | P264-P270-P301+P310-P321-P330-P405-P501-P262-P264-P270-P280-P302+P350-P310-P322-P361-P363-P405-P501-P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501 |
Safety & Regulations
| GHS classification | This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.DangerH300 (50%): Fatal if swallowed [Danger Acute toxicity, oral]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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 2 (50%) |
| Signal word | Danger |
| GHS pictogram | GHS06 |
| GHS hazard statements | H310-H330-H300 |
| GHS precautionary statements | P264-P270-P301+P310-P321-P330-P405-P501-P262-P264-P270-P280-P302+P350-P310-P322-P361-P363-P405-P501-P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501 |
Applications & Uses
Uses
2-Pyrrolidinyl desmorpholinylrocuronium Bromide (Rocuronium EP Impurity E) is an impuritiy of Rocuronium bromide (R639500), an aminosteroid and a competitive neuromuscular blocker.
Uses
2-Pyrrolidinyl desmorpholinylrocuronium bromide is an impuritiy of Rocuronium bromide (R639500), an aminosteroid and a competitive neuromuscular blocker.