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| Related CAS: | 6112-76-1 (hydrate) 50-44-2 |
| IUPAC Name: | 3,7-dihydropurine-6-thione;hydrate |
| Description: | 6-Mercaptopurine Monohydrate is a widely used antileukemic agent and immunosuppressive drug that inhibits de novo purine synthesis through incorporation of thiopurine methyltransferase metabolites into DNA and RNA. |
| Molecular Weight: | 170.19 |
| Molecular Formula: | C5H4N4S · H2O |
| Canonical SMILES: | C1=NC2=C(N1)C(=S)N=CN2.O |
| InChI: | InChI=1S/C5H4N4S.H2O/c10-5-3-4(7-1-6-3)8-2-9-5;/h1-2H,(H2,6,7,8,9,10);1H2 |
| InChI Key: | WFFQYWAAEWLHJC-UHFFFAOYSA-N |
| Boiling Point: | 490.6 °C at 760 mmHg |
| Melting Point: | >300 °C |
| Purity: | 98 % |
| Solubility: | DMSO, 100mg/mL(587.57mM);Water, <1mg/mL(<1mM);Ethanol, <1mg/mL(<1mM) |
| Appearance: | Solid powder |
| Storage: | 3 years -20 °Cpowder;6 months-80 °Cin solvent |
| MDL: | MFCD00599524 |
| LogP: | 0.95120 |
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