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Brodimoprim-[d6]

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General Information
Catalog: BLP-002097
CAS: 1346599-93-6
Molecular Formula: C13H9D6BrN4O2
Molecular Weight: 345.22

Chemical Structure

Description	Brodimoprim-[d6], is the labelled analogue of Brodimoprim. Brodimoprim is a selective inhibitor of bacterial dihydrofolate reductase.
Synonyms	5-[(4-Bromo-3,5-(dimethoxy-d6)phenyl)methyl]-2,4-pyrimidinediamine; 5-(4-Bromo-3,5-(dimethoxy-d6)benzyl)-2,4-pyrimidinediamine; Hyprim-d6; Brodimoprim-d6
IUPAC Name	5-[[4-bromo-3,5-bis(trideuteriomethoxy)phenyl]methyl]pyrimidine-2,4-diamine
Related CAS	56518-41-3 (unlabelled)
Canonical SMILES	COC1=CC(=CC(=C1Br)OC)CC2=CN=C(N=C2N)N
InChI	InChI=1S/C13H15BrN4O2/c1-19-9-4-7(5-10(20-2)11(9)14)3-8-6-17-13(16)18-12(8)15/h4-6H,3H2,1-2H3,(H4,15,16,17,18)/i1D3,2D3
InChI Key	BFCRRLMMHNLSCP-WFGJKAKNSA-N
Boiling Point	563.8±60.0 °C at 760 mmHg
Melting Point	225-228°C (dec.)
Density	1.5±0.1 g/cm3
Solubility	Soluble in DMSO
Appearance	Pale Beige Solid
Storage	Store at -20°C