HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Fazarabine
ara-AC · Fazarabine · NSC-281272 · Azacytidine isomer Impurity 14 · 4-Amino-1-β-D-arabinofuranosyl-1,3,5-triazin-2(1H)-one · 1,3,5-Triazin-2(1H)-one, 4-amino-1-β-D-arabinofuranosyl- · 4-amino-1-beta-D-arabinofuranosyl-1,3,5-triazin-2(1H)-one · Chlorcyclizine Hydrochloride (Chlorcyclizine EP Impurity A )
Identifikatoren & physikalische Daten
| CAS No. | 65886-71-7 |
|---|---|
| Summenformel | C8H12N4O5 |
| Durchschnittliche Molmasse | 244,2 g/mol |
| Monoisotopische Masse | 244,0807695 g/mol |
| SMILES | Nc1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1 |
| InChIKey | NMUSYJAQQFHJEW-ARQDHWQXSA-N |
| PubChem CID | 47751 |
| ChEMBL | CHEMBL2106666 |
| ChEBI | CHEBI:141077 |
| EC No. | 151-284-9 |
| DTXSID | DTXSID401024360 |
Chemische & physikalische Eigenschaften
| XLogP | -2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 141 |
| H-Brücken-Donoren | 4 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 384 |
| Löslichkeit | Water > 16 (mg/mL)Ethanol insoluble (mg/mL)Dimethylsulfoxide > 165 (mg/mL) |
| Optical Rotation | (c = 1.2, H2O) [a]25D = 121.5 ± 2 |
| Schmelzpunkt | 220 °C (decomp) |
| Siedepunkt | 534.5±60.0 °C(Predicted) |
| Dichte | 2.08±0.1 g/cm3(Predicted) |
| pKa (Säurekonstante) | 13.46±0.70(Predicted) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
Anwendungen & Verwendung
Verwenden
Antineoplastic.