Rociclovir
[CAS# 108436-80-2]

Identification

• Name: Rociclovir
• Synonyms: 9-[[2-Isopropoxy-1-(Isopropoxymethyl)Ethoxy]Methyl]Purin-2-Amine; 9-[[2-Isopropoxy-1-(Isopropoxymethyl)Ethoxy]Methyl]-2-Purinamine; [9-[[2-Isopropoxy-1-(Isopropoxymethyl)Ethoxy]Methyl]Purin-2-Yl]Amine
• Molecular Formula: C₁₅H₂₅N₅O₃
• Molecular Weight: 323.39
• CAS Registry Number: 108436-80-2
• SMILES: C1=NC2=C([N]1COC(COC(C)C)COC(C)C)N=C(N)N=C2
• InChI: 1S/C15H25N5O3/c1-10(2)21-6-12(7-22-11(3)4)23-9-20-8-18-13-5-17-15(16)19-14(13)20/h5,8,10-12H,6-7,9H2,1-4H3,(H2,16,17,19)
• InChIKey: FBHWXSOQXQBXER-UHFFFAOYSA-N

Properties

• Density: 1.269g/cm³ (Cal.)
• Boiling point: 507.968°C at 760 mmHg (Cal.)
• Flash point: 261.01°C (Cal.)