HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1,1'-N-(Methylenebis(sulfanediylethylene))bis(N'-methyl-2-nitroethene-1,1-diamine)
Raniridine imp J · Raniridine impurity J · Ranitidine EP impurity J · Ranitidine Impurity J (EP) · Ranitidine EP Hydrochloride Impurity J · 6alpha-Hydroxymedroxyprogesterone Acetate · Ranitidine Impurity 10(Ranitidine EP Impurity J) · Bis-[[2-[1-methylamino-2-nitroethenamine]ethyl]thio]methane
Identifikatoren & physikalische Daten
| CAS No. | 1331637-48-9 |
|---|---|
| Summenformel | C11H22N6O4S2 |
| Durchschnittliche Molmasse | 366,5 g/mol |
| SMILES | CNC(=C[N+](=O)[O-])NCCSCSCCNC(=C[N+](=O)[O-])NC |
| InChIKey | VWZXRGJMLLSQBK-BDLVGCLISA-N |
| PubChem CID | 72942018 |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 190 |
| H-Brücken-Donoren | 4 |
| H-Brücken-Akzeptoren | 10 |
| Frei drehbare Bindungen | 12 |
| Schwere Atome | 23 |
| Formalladung | 0 |
| Komplexität | 384 |
| Schmelzpunkt | >152°C (dec.) |
| Siedepunkt | 572.6±50.0 °C(Predicted) |
| Dichte | 1.282±0.06 g/cm3(Predicted) |
| Lagerbedingungen | -20°C Freezer |
| Löslichkeit | DMSO (Slightly, Heated), Methanol (Very Slightly) |
| pKa (Säurekonstante) | 2.67±0.70(Predicted) |
| Aggregatzustand | Solid |
| Farbe | Off-White to Beige |
| Hauptanwendungen | pharmaceutical (small molecule) |
| InChI | InChI=1S/C11H22N6O4S2/c1-12-10(7-16(18)19)14-3-5-22-9-23-6-4-15-11(13-2)8-17(20)21/h7-8,12-15H,3-6,9H2,1-2H3/b10-7-,11-8+ |
| InChIKey | VWZXRGJMLLSQBK-BDLVGCLISA-N |
| SMILES | N(C)/C(=C/[N+]([O-])=O)/NCCSCSCCN/C(=C/[N+]([O-])=O)/NC |
Anwendungen & Verwendung
Verwenden
Ranitidine (R120000) impurity.