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1-β-D-Arabinofuranosyl-(1H,3H)-pyrimidin-2,4-dion
ARABINOFURANOSYLURACIL · 1-β-D-Arabinofuranosyluracil · Spongouridine · Ara-Ur · arauridine · spongouridin · Uracyl Arabinoside · URACIL-1-BETA-D-ARABINOFURANOSIDE
Identifikatoren & physikalische Daten
| CAS No. | 3083-77-0 |
|---|---|
| Summenformel | C9H12N2O6 |
| Durchschnittliche Molmasse | 244,2 g/mol |
| Monoisotopische Masse | 244,0695361 g/mol |
| SMILES | O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1 |
| InChIKey | DRTQHJPVMGBUCF-CCXZUQQUSA-N |
| PubChem CID | 18323 |
| ChEMBL | CHEMBL1092065 |
| ChEBI | CHEBI:68346 |
| EC No. | 221-386-9 |
| DTXSID | DTXSID80184832 |
| Lokaler Name | 1-β-D-Arabinofuranosyl-(1H,3H)-pyrimidin-2,4-dion |
Chemische & physikalische Eigenschaften
| XLogP | -2 |
|---|---|
| Polarare Oberfläche (TPSA) | 119 |
| H-Brücken-Donoren | 4 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 370 |
| Schmelzpunkt | 220-222°C |
| Lagerbedingungen | -20°C |
| Löslichkeit | Methanol (Slightly), Water (Slightly)water: 50mg/mL, clear, colorless |
| Aggregatzustand | Powder |
| pKa (Säurekonstante) | pK1:9.30 (25°C) |
| Dichte | 1.674±0.06 g/cm3(Predicted) |
| Farbe | White to Off-white |
| Biologische Quelle | synthetic (organic) |
| BRN | 28749 |
| Hauptanwendungen | pharmaceutical |
| InChI | InChI=1/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7+,8-/s3 |
| InChIKey | DRTQHJPVMGBUCF-YEZNIHIWNA-N |
| SMILES | O[C@H]1[C@@H]([C@@H](CO)O[C@H]1N1C=CC(=O)NC1=O)O |&1:1,2,3,7,r| |
| CAS Datenbank | 3083-77-0(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.WarningH361 (50%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]P203, P280, P318, 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. |
|---|---|
| Hazard Classes and Categories | Repr. 2 (50%) |
| F | 3 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29349990 |
| RTECS-Nr. | YQ8818000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 22-24/25-36-26 |
| Lagerklasse | 13 - Non Combustible Solids |
Anwendungen & Verwendung
Beschreibung
1-β-D-Arabinofuranosyluracil (ara-U) is an inactive metabolite of cytarabine . Ara-U is formed when cytarabine undergoes deamination by cytidine deaminase.
Verwenden
1-beta-D-Arabinofuranosyluracil is used for the treatment of severe acute respiratory syndrome (SARS).