HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Mitomycin B
Mitomycin B. · Mitomycin Impurity 3(Mitomycin EP Impurity C)(Mitomycin B) · (1aS)-8α-[[(Aminocarbonyl)oxy]methyl]-1,1aα,2,8,8aα,8bα-hexahydro-1,5-dimethyl-8a-hydroxy-6-methoxyazirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione · Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-8a-hydroxy-6-methoxy-1,5-dimethyl-, (1aS,8R,8aR,8bS)- · [1aS-(1aalpha,8alpha,8aalpha,8balpha)]-8-[[(Aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-8a-hydroxy-6-methoxy-1,5-dimethyl-azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione
Identifikatoren & physikalische Daten
| CAS No. | 4055-40-7 |
|---|---|
| Summenformel | C16H19N3O6 |
| Durchschnittliche Molmasse | 349,34 g/mol |
| Monoisotopische Masse | 349,12738533 g/mol |
| SMILES | COC1=C(C)C(=O)C2=C(C1=O)[C@H](COC(N)=O)[C@@]1(O)[C@@H]3[C@H](CN21)N3C |
| InChIKey | UZUUQCBCWDBYCG-DQRAMIIBSA-N |
| PubChem CID | 19973 |
| ChEMBL | CHEMBL323536 |
| ChEBI | CHEBI:85416 |
| DTXSID | DTXSID001318185 |
Chemische & physikalische Eigenschaften
| XLogP | -0,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 122 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 8 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 25 |
| Formalladung | 0 |
| Komplexität | 787 |
| Stoffklassen | Biological Agents -> Bacterial Toxins |
| Color/Form | VIOLET CRYSTALS FROM ACETONE + CARBON TETRACHLORIDE |
| Löslichkeit | SOL IN WATER & MANY ORGANIC SOLVENTSPRACTICALLY INSOL IN XYLENE, CARBON TETRACHLORIDE, CARBON DISULFIDE, PETROLEUM ETHER, LIGROIN, CYCLOHEXANE, BENZENE, TOLUENE, TRICHLOROETHYLENE, NITROBENZENE. |
| Physical Description | Violet solid[Merck Index] |
| Other Experimental Properties | DECOMP AT 182-184 °C |
| Siedepunkt | 483.53°C (rough estimate) |
| Dichte | 1.2205 (rough estimate) |
| Brechungsindex | 1.6500 (estimate) |
| pKa (Säurekonstante) | 11.41±0.70(Predicted) |
Sicherheit & Vorschriften
| Gefahrenübersicht | Emergency treatment: Mitomycin C[HSDB] See Mitomycin C. |
|---|---|
| Entsorgungsverfahren | SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices. |
| Toxizität | LD50 i.v. in mice: 10 mg/kg (Hata, 1956)also reported as 3 mg/kg (Kinoshita) |
| Gefahrstoffdaten | 4055-40-7(Hazardous Substances Data) |
Anwendungen & Verwendung
Verwenden
As an antitumor antibiotic, Mitomycin B is used as antineoplastic.