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4-Desmethoxy-4-bromo Trimethoprim-[d3]

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General Information
Catalog: BLP-002881
CAS: 1346600-27-8
Molecular Formula: C13H12D3BrN4O2
Molecular Weight: 342.21

Chemical Structure

Description	4-Desmethoxy-4-bromo Trimethoprim-[d3] is the labelled analogue of 4-Desmethoxy-4-bromo Trimethoprim. 4-Desmethoxy-4-bromo Trimethoprim is an impurity of Trimethoprim that inhibits the enzyme dihydrofolate reductase.
Synonyms	4-Desmethoxy-4-bromo Trimethoprim D3; 5-[[3-Bromo-4-(methoxy-d3)-5-methoxyphenyl]methyl]-2,4-diaminopyrimidine; 2,4-Diamino-5-[3-methoxy-4-(methoxy-d3)-5-bromobenzyl]pyrimidine; 5-[3'-Bromo-4'-(methoxy-d3)-5'-methoxybenzyl]-2,4-diaminopyrimidine
IUPAC Name	5-[[3-bromo-5-methoxy-4-(trideuteriomethoxy)phenyl]methyl]pyrimidine-2,4-diamine
Related CAS	16285-82-8 (unlabelled)
Canonical SMILES	COC1=C(C(=CC(=C1)CC2=CN=C(N=C2N)N)Br)OC
InChI	InChI=1S/C13H15BrN4O2/c1-19-10-5-7(4-9(14)11(10)20-2)3-8-6-17-13(16)18-12(8)15/h4-6H,3H2,1-2H3,(H4,15,16,17,18)/i2D3
InChI Key	XJSNBPJINGRLAM-BMSJAHLVSA-N