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Temozolomide-[d3]

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General Information
Catalog: BLP-012606
CAS: 208107-14-6
Molecular Formula: C6H3D3N6O2
Molecular Weight: 197.17

Chemical Structure

Description	Temozolomide-[d3] is the labelled analogue of Temozolomide, which is an imidazotetrazine derivative and has been found to be a DNA methylating agent and could be used as an antineoplastic.
Synonyms	Temozolomide D3
IUPAC Name	4-oxo-3-(trideuteriomethyl)imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
Related CAS	85622-93-1 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])N1C(=O)N2C=NC(=C2N=N1)C(=O)N
Canonical SMILES	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N
InChI	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
InChI Key	BPEGJWRSRHCHSN-FIBGUPNXSA-N
Boiling Point	526.6±42.0 °C at 760 mmHg
Melting Point	>177°C (dec.)
Purity	95% by HPLC; 95% atom D
Density	2.0±0.1 g/cm3
Solubility	Soluble in Acetonitrile, DMSO, Methanol
Appearance	White to Off-white Solid
Storage	Store at -20°C