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N-1,3,4-Thiadiazol-2-ylacetamide
NSC 4729 · Acetazolamide EP IMP B · Acetazolamide EP Impurity B · 2-AcetaMido-1,3,4-thiadiazole · 2-AcetylaMino-1,3,4-thiadiazole · Acetamide, N-1,3,4-thiadiazol-2-yl- · Acetazolamide Impurity 2(Acetazolamide EP Impurity B)
Identifikatoren & physikalische Daten
| CAS No. | 5393-55-5 |
|---|---|
| Summenformel | C4H5N3OS |
| Durchschnittliche Molmasse | 143,17 g/mol |
| Monoisotopische Masse | 143,01533278 g/mol |
| SMILES | CC(=O)Nc1nncs1 |
| InChIKey | YOGFGFKRNRQDMF-UHFFFAOYSA-N |
| PubChem CID | 94839 |
| ChEMBL | CHEMBL1288808 |
| EC No. | 642-229-4 |
| DTXSID | DTXSID20202221 |
Chemische & physikalische Eigenschaften
| XLogP | -0,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 83,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 118 |
| Schmelzpunkt | 350 °C |
| Dichte | 1.454±0.06 g/cm3(Predicted) |
| Löslichkeit | DMSO (Sparingly, Sonicated), Methanol (Slightly) |
| pKa (Säurekonstante) | 9.62±0.50(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Toxizität | mouse,LD50,intraperitoneal,1022mg/kg (1022mg/kg),National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986, |
Anwendungen & Verwendung
Verwenden
N-1,3,4-Thiadiazol-2-ylacetamide is an impurity of Acetazolamide (A161500). Acetazolamide impurity B.