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3-Methyl-1,1-diphenylurea-[d3]

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General Information
Catalog: BLP-002779
CAS: 208107-10-2
Molecular Formula: C14H11D3N2O
Molecular Weight: 229.29

Chemical Structure

Description	3-Methyl-1,1-diphenylurea-[d3] is the labelled analogue of 3-Methyl-1,1-diphenylurea. 3-Methyl-1,1-diphenylurea is an impurity of Temozolomidee, which is an imidazotetrazine derivative and has been found to be a DNA methylating agent and could be used as an antineoplastic.
Synonyms	3-Methyl-d3-1,1-diphenylurea; N'-(Methyl-d3)-N,N-diphenylurea
IUPAC Name	1,1-Diphenyl-3-(Trideuteriomethyl)Urea
Related CAS	13114-72-2 (unlabelled)
Canonical SMILES	CNC(=O)N(C1=CC=CC=C1)C2=CC=CC=C2
InChI	InChI=1S/C14H14N2O/c1-15-14(17)16(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3,(H,15,17)/i1D3
InChI Key	IMFYAZJNDOZIFV-FIBGUPNXSA-N
Purity	> 98%