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Trimethoprim-[13C3]

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General Information
Catalog: BLP-007528
CAS: 1189970-95-3
Molecular Formula: C11[13C]3H18N4O3
Molecular Weight: 293.30

Chemical Structure

Description	Labelled Trimethoprim. Trimethoprim is a bacteriostatic antibiotic used mainly in the prophylaxis and treatment of urinary tract infections. It caused induction of DnaK, DnaJ, GroEL, ClpB, and IbpA/B Hsps. It binds to dihydrofolate reductase and inhibits the reduction of dihydrofolic acid (DHF) to tetrahydrofolic acid (THF).
Synonyms	5-[(3,4,5-(Trimethoxy-13C3)yphenyl)methyl]-2,4-pyrimidinediamine; 2,4-Diamino-5-[3',4',5'-(trimethoxy-13C3)benzyl]pyrimidine; Instalac-13C3; Monotrim-13C3; Proloprim-13C3; Syraprim-13C3; Tiempe-13C3; Trimanyl-13C3; Uretrim-13C3
IUPAC Name	5-[[3,4,5-tri((1-13C)methoxy)phenyl]methyl]pyrimidine-2,4-diamine
Related CAS	738-70-5 (unlabelled)
Isomeric SMILES	[13CH3]OC1=CC(=CC(=C1O[13CH3])O[13CH3])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)/i1+1,2+1,3+1
InChI Key	IEDVJHCEMCRBQM-VMIGTVKRSA-N
Melting Point	197-199°C
Solubility	Soluble in DMSO (Slightly), Methanol (Slightly, Heated)
Appearance	White to Off-white Solid
Storage	Store at -20°C