HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Valnemulin Hydrochloride
econor · Etodoiac · VALNEMULIN HCL · ValneMulin hyd · UNII-W1GDP58BNQ · VALNEMULIN HYDROCH · Valnemulin Hydrochlorid · Vonimorin hydrochloride
Identifikatoren & physikalische Daten
| CAS No. | 133868-46-9 |
|---|---|
| Summenformel | C31H53ClN2O5S |
| Durchschnittliche Molmasse | 601,3 g/mol |
| Monoisotopische Masse | 600,33637148 g/mol |
| SMILES | C=C[C@]1(C)C[C@@H](OC(=O)CSC(C)(C)CNC(=O)[C@H](N)C(C)C)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O.Cl |
| InChIKey | MFBPRQKHDIVLOJ-AFFLPQGKSA-N |
| PubChem CID | 60195218 |
| ChEMBL | CHEMBL4591422 |
| EC No. | 685-606-9 |
| DTXSID | DTXSID30158407 |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 144 |
|---|---|
| H-Brücken-Donoren | 4 |
| H-Brücken-Akzeptoren | 7 |
| Frei drehbare Bindungen | 10 |
| Schwere Atome | 40 |
| Formalladung | 0 |
| Komplexität | 969 |
| Schmelzpunkt | 140-143C |
| Lagerbedingungen | Inert atmosphere,Store in freezer, under -20°C |
| Löslichkeit | DMSO (Slightly), Ethanol (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |
| Merck | 14,9911 |
| InChIKey | MFBPRQKHDIVLOJ-AFFLPQGKSA-N |
| SMILES | C[C@H]1[C@@H]([C@](C[C@@H](OC(=O)CSC(C)(C)CNC(=O)[C@H](N)C(C)C)C2([C@H](C)CCC31CCC(=O)[C@]32[H])C)(C)C=C)O.Cl |&1:1,2,3,5,18,24,33,r| |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P304+P340, P305+P351+P338, P319, P330, P337+P317, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 6 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2941.90.5000 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 Oral |
Anwendungen & Verwendung
Verwenden
Valnemulin hydrochloride is the salt prepared from valnemulin taking advantage of the basic amino group which protonates and readily forms the salt in hydrochloric acid solutions. The hydrochloride is the preferred formulation for pharmaceutical applications. Valnemulin is a broad spectrum antibiotic used to control gastrointestinal infections in animals, and shows no cross resistance to other antibiotic classes. Like all the pleuromutilins, valnemulin inhibits protein synthesis by binding to domain V of 23S RNA.