HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Idoxuridin
1-((2R,4S,5R)-4-hydroxy-5-(hydroxyMethyl)tetrahydrofuran-2-yl)-5-iodopyriMidine-2,4(1H,3H)-dione · IDU · ldoxuridine · 5-IODODESOXYURIDINE · 5-Iodo-2'-deoxyuridine · IUDR · 5-IdU · Stoxil
Identifikatoren & physikalische Daten
| CAS No. | 54-42-2 |
|---|---|
| Summenformel | C9H11IN2O5 |
| Durchschnittliche Molmasse | 354,1 g/mol |
| SMILES | O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1I |
| InChIKey | XQFRJNBWHJMXHO-UHFFFAOYSA-N |
| PubChem CID | 3687 |
| ChEMBL | CHEMBL268690 |
| Lokaler Name | Idoxuridin |
Chemische & physikalische Eigenschaften
| XLogP | -1 |
|---|---|
| Polarare Oberfläche (TPSA) | 99,1 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 386 |
| Schmelzpunkt | 194 °C (lit.) |
| Dichte | 1.7911 (estimate) |
| Brechungsindex | 30 ° (C=1, 1mol/L NaOH) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | DMSO (Slightly, Sonicated), Methanol (Slightly, Heated, Sonicated)1.6 g/L (20 ºC) |
| Aggregatzustand | Crystalline Powder |
| pKa (Säurekonstante) | 8.25(at 25℃) |
| Farbe | White to slightly beige |
| Biologische Quelle | synthetic (organic) |
| Merck | 14,4891 |
| BRN | 30397 |
| InChI | 1S/C9H11IN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1 |
| InChIKey | XQFRJNBWHJMXHO-FSDSQADBSA-N |
| SMILES | OC[C@H]1O[C@H](C[C@@H]1O)N2C=C(I)C(=O)NC2=O |
| CAS Datenbank | 54-42-2(CAS DataBase Reference) |
| NIST chemische Informationen | Uridine, 2'-deoxy-5-iodo-(54-42-2) |
| EPA chemische Informationen | Uridine, 2'-deoxy-5-iodo- (54-42-2) |
Sicherheit & Vorschriften
| F | 8-23 |
|---|---|
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29389090 |
| RTECS-Nr. | YU7700000 |
| R-Sätze (R) | 45-46-61-40-68-62-36/37/38-63 |
| Toxizität | LD50 i.p. in mice: 2.5 g/kg (Prusoff, 1979) |
| Gefahrensymbole | T,Xn |
| Sicherheitshinweise (S) | 53-45-36-22-36/37-26 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrstoffdaten | 54-42-2(Hazardous Substances Data) |
| Gefahrenklasse | Eye Irrit. 2Muta. 2Repr. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
Idoxuridine is an antiviral agent effective against herpes-simplex infections; in ophthalmie eyedrops, ointments, and solutions.