HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Thymidine, 3'-chloro-3'-deoxy-
ClddT · Zidovudine EP IMpurity B · Zidovudine impurity B RS · 3'-Deoxy-3'-chlorothymidine · 3'-chloro-3'-deoxythyMidine · 3'-Desoxy-3'-chlor-thymidin · Zidovudine Related CoMpound B · Thymidine, 3'-chloro-3'-deoxy-
Identifikatoren & physikalische Daten
| CAS No. | 25526-94-7 |
|---|---|
| Summenformel | C10H13ClN2O4 |
| Durchschnittliche Molmasse | 260,67 g/mol |
| Monoisotopische Masse | 260,0563846 g/mol |
| SMILES | Cc1cn([C@H]2C[C@H](Cl)[C@@H](CO)O2)c(=O)[nH]c1=O |
| InChIKey | KQVJDKGDGLWBQT-XLPZGREQSA-N |
| PubChem CID | 72249 |
| ChEMBL | CHEMBL1098010 |
| EC No. | 641-881-7 |
| DTXSID | DTXSID10180226 |
Chemische & physikalische Eigenschaften
| XLogP | 0 |
|---|---|
| Polarare Oberfläche (TPSA) | 78,9 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 385 |
| Schmelzpunkt | 180-182 °C |
| Dichte | 1.48±0.1 g/cm3(Predicted) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
| pKa (Säurekonstante) | 9.55±0.10(Predicted) |
| Hauptanwendungen | pharmaceutical (small molecule) |
| InChI | 1S/C10H13ClN2O4/c1-5-3-13(10(16)12-9(5)15)8-2-6(11)7(4-14)17-8/h3,6-8,14H,2,4H2,1H3,(H,12,15,16)/t6-,7+,8+/m0/s1 |
| InChIKey | KQVJDKGDGLWBQT-SPDVFEMOSA-N |
| SMILES | Cl[C@@H]1[C@H](O[C@H](C1)[n]2[c]([nH][c](c(c2)C)=O)=O)CO |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P264, P270, P301+P317, P319, P330, 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. |
|---|---|
| Wassergefährdungsklasse (WGK) | WGK 3 |
| Zollcode | 2934990002 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
3'-Chloro-3'-deoxythymidine is an impurity of 3'-Azido-3'-deoxythymidine (A825000), a potent and selective inhibitor of HIV-1 replication and a potential antiviral agent.