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Sulbutiamin
SULBUTIAMINE · BISIBUTIAMINE · Bisibuthiamine · formylamino]-3-penten-1-ol] bis(2-methylpropionate) · arcalion · Vitaberin · Solbutiamine · Sulbutiaminum
Identifikatoren & physikalische Daten
| CAS No. | 3286-46-2 |
|---|---|
| Summenformel | C32H46N8O6S2 |
| Durchschnittliche Molmasse | 702,9 g/mol |
| Monoisotopische Masse | 702,29817356 g/mol |
| SMILES | CC(=C(CCOC(=O)C(C)C)SSC(CCOC(=O)C(C)C)=C(C)N(C=O)Cc1cnc(C)nc1N)N(C=O)Cc1cnc(C)nc1N |
| InChIKey | CKHJPWQVLKHBIH-UHFFFAOYSA-N |
| PubChem CID | 71124 |
| DTXSID | DTXSID5046641 |
| Lokaler Name | Sulbutiamin |
Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 247 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 14 |
| Frei drehbare Bindungen | 19 |
| Schwere Atome | 48 |
| Formalladung | 0 |
| Komplexität | 1.050 |
| Schmelzpunkt | 140.5-141.5 °C |
| Siedepunkt | 892.5±65.0 °C(Predicted) |
| Dichte | 1.1323 (rough estimate) |
| Brechungsindex | 1.7400 (estimate) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Löslichkeit | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) |
| pKa (Säurekonstante) | 5.82±0.10(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |
| Merck | 14,9297 |
| Stabilität | Hygroscopic |
| InChIKey | CKHJPWQVLKHBIH-UHFFFAOYSA-N |
| SMILES | C(CCOC(=O)C(C)C)(SSC(CCOC(=O)C(C)C)=C(C)N(C=O)CC1=CN=C(C)N=C1N)=C(C)N(C=O)CC1=CN=C(C)N=C1N |
| CAS Datenbank | 3286-46-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| Zollcode | 2933.59.9500 |
|---|---|
| RTECS-Nr. | LQ2721000 |
Anwendungen & Verwendung
Beschreibung
Sulbutiamine is a vitamin B1 derivative developed by the French Servier Pharmaceuticals. The product is described in Special Drug Patent 5921M as a formulation with vitamin B1 activity, which is able to increase the blood level of vitamin B1 and has a therapeutic effect on all vitamin B1 deficiencies.
Verwenden
Sulbutiamine (isobutyryl thiamine disulfide) is a lipophilic derivative of thiamine used for the treatment of asthenia and other related pathological conditions. Sulbutiamine is available over-the-counter in several countries as a component of nutritional supplements.