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Cefmetazol
cs1170 · (6r · CMZ · U 72791 · U 72791a · SKF 83088 · Cefatrixine · Cefmetazole
Identifikatoren & physikalische Daten
| CAS No. | 56796-20-4 |
|---|---|
| Summenformel | C15H17N7O5S3 |
| Durchschnittliche Molmasse | 471,5 g/mol |
| Monoisotopische Masse | 471,04533019 g/mol |
| SMILES | CO[C@@]1(NC(=O)CSCC#N)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21 |
| InChIKey | SNBUBQHDYVFSQF-HIFRSBDPSA-N |
| PubChem CID | 42008 |
| ChEMBL | CHEMBL1201195 |
| ChEBI | CHEBI:3489 |
| EC No. | 260-384-2 |
| DTXSID | DTXSID7022756 |
| Lokaler Name | Cefmetazol |
Chemische & physikalische Eigenschaften
| XLogP | -0,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 239 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 12 |
| Frei drehbare Bindungen | 9 |
| Schwere Atome | 30 |
| Formalladung | 0 |
| Komplexität | 818 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15Pharmaceuticals -> Antibiotics |
| LogP (Verteilungskoeffizient) | -2.2-0.6 |
| Löslichkeit | 2.16e+00 g/LMethanol (Slightly, Heated)Soluble in water |
| Physical Description | Solid |
| Collision Cross Section | 192.97 Ų [M+Na]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
| Schmelzpunkt | 163-165C |
| Dichte | 1.4380 (rough estimate) |
| Brechungsindex | 1.7400 (estimate) |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 2.65±0.50(Predicted) |
| Farbe | White |
| InChIKey | SNBUBQHDYVFSQF-HIFRSBDPSA-N |
| SMILES | N12[C@@]([H])([C@@](NC(CSCC#N)=O)(OC)C1=O)SCC(CSC1N(C)N=NN=1)=C2C(O)=O |
| CAS Datenbank | 56796-20-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]P233, P260, P261, P264, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (50%) |
| Drug Induced Liver Injury | Drug-Induced Liver Injury Severity and Toxicity (DILIst)CefmetazoleDILI PositiveDOI:10.1016/j.drudis.2019.09.022 |
| Wassergefährdungsklasse (WGK) | 2 |
| Zollcode | 2941906000 |
| RTECS-Nr. | XI0372200 |
| R-Sätze (R) | 36/37/38-42/43 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-36 |
Anwendungen & Verwendung
Beschreibung
Cefmetazole is a cephamycin with a nonaromatic side chain at C-7. In addition to a fairly characteristic second-generation cephalosporin antimicrobial spectrum, it possess fairly significant anti-antiaerobic activity. The ejection of its C-3 side chain leads to alcohol intolerance of the disulfuram type and prolonged clotting times.
Verwenden
Semi-synthetic antibiotic derived from Cephamycin. Antibacterial.