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| IUPAC Name: | 9-benzyl-6-chloropurin-2-amine |
| Description: | 2-Amino-9-benzyl-6-chloropurine is an intermediate in the synthesis of Guaninyl Valacyclovir (G836500), an impurity of Valacyclovir (V085000). It can be used as new purines with antiplatelet activity. |
| Molecular Weight: | 259.69 |
| Molecular Formula: | C12H10ClN5 |
| Canonical SMILES: | C1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3Cl)N |
| InChI: | InChI=1S/C12H10ClN5/c13-10-9-11(17-12(14)16-10)18(7-15-9)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,14,16,17) |
| InChI Key: | XBAIDBLXRCQTCV-UHFFFAOYSA-N |
| Melting Point: | >195°C (dec.) |
| Solubility: | DMSO (Slightly), Methanol (Slightly) |
| Appearance: | White to Off-White Solid |
| Storage: | -20°C, Inert atmosphere |
| References: | Maerschenz, K., et.al. Archiv der Pharmazie, 339, 115-122, (2006). |
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