HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Azosemid
Diart · Luret · SK-110 · ple1053 · azosemid · Diurapid · AZOSEMIDE · Azosemidum
Identifikatoren & physikalische Daten
| CAS No. | 27589-33-9 |
|---|---|
| Summenformel | C12H11ClN6O2S2 |
| Durchschnittliche Molmasse | 370,8 g/mol |
| Monoisotopische Masse | 370,00734327 g/mol |
| SMILES | NS(=O)(=O)c1cc(-c2nn[nH]n2)c(NCc2cccs2)cc1Cl |
| InChIKey | HMEDEBAJARCKCT-UHFFFAOYSA-N |
| PubChem CID | 2273 |
| ChEMBL | CHEMBL1097235 |
| ChEBI | CHEBI:31248 |
| EC No. | 248-549-7 |
| DTXSID | DTXSID7046910 |
| Lokaler Name | Azosemid |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 163 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 8 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 23 |
| Formalladung | 0 |
| Komplexität | 504 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Schmelzpunkt | 219.5 °C218-221° |
| Physical Description | Solid |
| Siedepunkt | 221°C (rough estimate) |
| Dichte | 1.6843 (rough estimate) |
| Brechungsindex | 1.6100 (estimate) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly, Heated) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 3.58±0.10(Predicted) |
| Farbe | Crystals |
| InChI | InChI=1S/C12H11ClN6O2S2/c13-9-5-10(15-6-7-2-1-3-22-7)8(12-16-18-19-17-12)4-11(9)23(14,20)21/h1-5,15H,6H2,(H2,14,20,21)(H,16,17,18,19) |
| InChIKey | HMEDEBAJARCKCT-UHFFFAOYSA-N |
| SMILES | C1(S(N)(=O)=O)=CC(C2=NNN=N2)=C(NCC2SC=CC=2)C=C1Cl |
| CAS Datenbank | 27589-33-9(CAS DataBase Reference) |
Sicherheit & Vorschriften
| Toxizität | LD50 orl-rat: 2545 mg/kg IYKEDH 18,666,87 |
|---|
Anwendungen & Verwendung
Beschreibung
Azosemide is a high-ceiling diuretic similiar in structure and profile to furosemide, albeit somewhat less potent and less bioavailable. It is useful in the treatment of congestive heart failure and similar edematous conditions.
Verwenden
Diuretic.