HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Pirenoxin
catalin · Kary Uni · Catalin K · Bernetine · PIRENOXINE · Pirenoxine USP/EP/BP · Catalin【opthalmic remedy】 · 1-Hydroxy-3-carboxy-5H-pyrido[3,2-a]phenoxazin-5-one
Identifikatoren & physikalische Daten
| CAS No. | 1043-21-6 |
|---|---|
| Summenformel | C16H8N2O5 |
| Durchschnittliche Molmasse | 308,24 g/mol |
| Monoisotopische Masse | 308,04332136 g/mol |
| SMILES | O=C(O)c1cc(=O)c2c3nc4ccccc4oc-3cc(=O)c2[nH]1 |
| InChIKey | OKPNYGAWTYOBFZ-UHFFFAOYSA-N |
| PubChem CID | 4846 |
| ChEMBL | CHEMBL1372341 |
| ChEBI | CHEBI:32013 |
| EC No. | 213-872-4 |
| DTXSID | DTXSID6048335 |
| Lokaler Name | Pirenoxin |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 105 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 7 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 23 |
| Formalladung | 0 |
| Komplexität | 771 |
| Schmelzpunkt | 247-248°C |
| Siedepunkt | 699.7±55.0 °C(Predicted) |
| Dichte | 1.70±0.1 g/cm3(Predicted) |
| Lagerbedingungen | -20°C Freezer |
| Löslichkeit | Aqueous Base (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 2.63±0.20(Predicted) |
| Farbe | Very Dark Red to Very Dark Brown |
| InChI | InChI=1S/C16H8N2O5/c19-9-5-8(16(21)22)18-14-10(20)6-12-15(13(9)14)17-7-3-1-2-4-11(7)23-12/h1-6H,(H,18,19)(H,21,22) |
| InChIKey | OKPNYGAWTYOBFZ-UHFFFAOYSA-N |
| SMILES | C12=C(O)C=C(C(O)=O)N=C1C(=O)C=C1C2=NC2=C(C=CC=C2)O1 |
| CAS Datenbank | 1043-21-6(CAS DataBase Reference) |
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)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
Anwendungen & Verwendung
Verwenden
Pirenoxine, is a medication used in the possible treatment and prevention of cataracts.