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Trimethoprim-[d9]

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General Information
Catalog: BLP-012641
CAS: 1189460-62-5
Molecular Formula: C14H9D9N4O3
Molecular Weight: 299.37

Chemical Structure

Description	Trimethoprim-[d9] is the labelled analogue of Trimethoprim. Trimethoprim is an antibiotic used in the treatment of bladder infections.
Synonyms	Trimethoprim-D9; 5-[(3,4,5-Trimethoxy-d9-phenyl)methyl]-2,4-pyrimidinediamine; 2,4-Diamino-5-(3',4',5'-trimethoxy-d9-benzyl)pyrimidine
IUPAC Name	5-[[3,4,5-tris(trideuteriomethoxy)phenyl]methyl]pyrimidine-2,4-diamine
Related CAS	738-70-5 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])OC1=CC(=CC(=C1OC([2H])([2H])[2H])OC([2H])([2H])[2H])CC2=CN=C(N=C2N)N
Canonical SMILES	COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N
InChI	InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)/i1D3,2D3,3D3
InChI Key	IEDVJHCEMCRBQM-GQALSZNTSA-N
Boiling Point	526.0±60.0 °C at 760 mmHg
Melting Point	199-201°C
Purity	95% by HPLC; 98% atom D
Density	1.3±0.1 g/cm3
Solubility	Soluble in DMSO, Methanol
Appearance	White to Off-white Solid
Storage	Store at -20°C