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Bucillamine
rimatil · sa96 · de-019 · Tiobutarit · thiobutarit · Bucillamine · Bucillamine 95% · BUCILLAMINE USP/EP/BP
Identifikatoren & physikalische Daten
| CAS No. | 65002-17-7 |
|---|---|
| Summenformel | C7H13NO3S2 |
| Durchschnittliche Molmasse | 223,3 g/mol |
| Monoisotopische Masse | 223,03368528 g/mol |
| SMILES | CC(C)(S)C(=O)N[C@@H](CS)C(=O)O |
| InChIKey | VUAFHZCUKUDDBC-BYPYZUCNSA-N |
| PubChem CID | 656604 |
| ChEMBL | CHEMBL80830 |
| ChEBI | CHEBI:31312 |
| DTXSID | DTXSID2048587 |
Chemische & physikalische Eigenschaften
| XLogP | 0,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 68,4 |
| H-Brücken-Donoren | 4 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 218 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Schmelzpunkt | 119-123°C |
| Siedepunkt | 438.0±45.0 °C(Predicted) |
| Dichte | 1.3934 (rough estimate) |
| Brechungsindex | 1.6370 (estimate) |
| Lagerbedingungen | Hygroscopic, -20°C Freezer, Under Inert Atmosphere |
| Löslichkeit | DMSO (Very Slightly), Ethanol (Slightly), Methanol (Slightly), Water (Slightly) |
| pKa (Säurekonstante) | 3.01±0.10(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White to Pale Yellow |
| Stabilität | Air Sensitive, Hygroscopic, Unstable in Solution |
| CAS Datenbank | 65002-17-7(CAS DataBase Reference) |
Sicherheit & Vorschriften
| Drug Induced Liver Injury | Drug-Induced Liver Injury Severity and Toxicity (DILIst)BucillamineDILI PositiveDOI:10.1016/j.drudis.2019.09.022 |
|---|---|
| Toxizität | LD50 in mice (mg/kg): 2285 i.p.989.6 i.v. (Fujita, 1981) |
Anwendungen & Verwendung
Beschreibung
Bucillamine is an orally active immunomodulator useful in the treatment of rheumatoid arthritis. Its potencies in inhibiting collagenase activity and inactivating rheumatoid factor far exceed those of penicillamine. In man, bucillamine reportedly brings about significant improvements over placebo in erythrocyte sedimentation, grip power, joint swelling and duration of morning stiffness.
Verwenden
An antirheumatic agent.