3-(²H₃)Methyl-4-Oxo-3,4-Dihydroimidazo[5,1-d][1,2,3,5]Tetrazine-8-Carboxamide
[CAS 208107-14-6]

Identification

• Name: 3-(²H₃)Methyl-4-Oxo-3,4-Dihydroimidazo[5,1-d][1,2,3,5]Tetrazine-8-Carboxamide
• Synonyms: Temozolomide-d3
• Molecular Formula: C₆H₃D₃N₆O₂
• Molecular Weight: 197.17
• CAS Registry Number: 208107-14-6
• SMILES: [2H]C([2H])([2H])N1\N=N/c2c(ncn2C1=O)C(=O)N
• InChI: 1S/C6H6N6O2/c1-11-6(14)12-2-8-3(4(7)13)5(12)9-10-11/h2H,1H3,(H2,7,13)/i1D3
• InChIKey: BPEGJWRSRHCHSN-FIBGUPNXSA-N

Properties

• Density: 2.004g/cm³ (Cal.)
• Boiling point: 526.592°C at 760 mmHg (Cal.)
• Flash point: 272.273°C (Cal.)
• Refractive index: 1.895 (Cal.)