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(2S,3S,5S,10S,13S,16S,17R)-10,13-dimethyl-16-(1-methylpiperidin-1-ium-1-yl)-2-piperidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol bromide
Org 7402 · Vecuronium EP Impurity D · 3,17-bis-deacetylvecuronium · Vecuronium bromide impurity C · Vecuronium Bromide EP Impurity D · VecuroniuM BroMide Related CoMpound C · Vecuronium Bromide EP Impurity D Bromide · Vecuronium Bromide Impurity 4(Vecuronium Bromide EP Impurity D)
![Molekülstruktur von (2S,3S,5S,10S,13S,16S,17R)-10,13-dimethyl-16-(1-methylpiperidin-1-ium-1-yl)-2-piperidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol bromide](/img/chemical/175461.png)
Identifikatoren & physikalische Daten
| CAS No. | 73319-30-9 |
|---|---|
| Summenformel | C30H53BrN2O2 |
| Durchschnittliche Molmasse | 553,7 g/mol |
| Monoisotopische Masse | 552,32904 g/mol |
| SMILES | C[C@]12CCC3C(CC[C@H]4C[C@H](O)[C@@H](N5CCCCC5)C[C@]34C)C1C[C@H]([N+]1(C)CCCCC1)[C@@H]2O.[Br-] |
| InChIKey | DIGWZHJLXJPNBY-RXKWVREZSA-M |
| PubChem CID | 175461 |
| DTXSID | DTXSID00994036 |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 43,7 |
|---|---|
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 35 |
| Formalladung | 0 |
| Komplexität | 746 |
| Hauptanwendungen | pharmaceutical (small molecule) |
| InChIKey | DIGWZHJLXJPNBY-RXKWVREZSA-M |
| SMILES | [Br-].[N+]6(CCCCC6)([C@@H]1[C@@H]([C@@]2(C(C3C([C@@]4([C@H](C[C@@H]([C@H](C4)N5CCCCC5)O)CC3)C)CC2)C1)C)O)C |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | WGK 3 |
|---|---|
| Zollcode | 2933399090 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
1-[(2β,3α,5α,16β17β)-3,17-Dihydroxy-2-(1-piperidinyl)androstan-16-yl]-1-methylpiperidinium Bromide, is the derivative of Vecuronium Bromide (V102500), a muscle relaxant in the category of non-depolarizing blocking agents.