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Nitrofurantoin-[13C3]

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General Information
Catalog: BLP-011684
CAS: 1217226-46-4
Molecular Formula: C5[13C]3H6N4O5
Molecular Weight: 241.13

Chemical Structure

Description	Nitrofurantoin-[13C3] is the labelled analogue of Nitrofurantoin, which is an antibiotic used to treat urinary tract infections, but not effective for kidney infections.
Synonyms	Nitrofurantoin-13C3; 1-[[(5-Nitro-2-furanyl)methylene]amino]-2,4-imidazolidinedione-13C3; 1-(5-Nitro-2-furfurylideneamino)hydantoin-13C3; 5-Nitrofurantoin-13C3; Berkfurin-13C3; Chemiofuran-13C3; Cyantin-13C3; Cystit-13C3; Furadantoin-13C3; Furadoin-13C3; Furadoine-13C3; Nifurantin-13C3; Nitoin-13C3; Novofuran-13C3
IUPAC Name	1-[(E)-(5-nitrofuran-2-yl)methylideneamino]-(2,4,5-13C3)1,3-diazolidine-2,4-dione
Related CAS	67-20-9 (unlabelled)
Isomeric SMILES	[13CH2]1[13C](=O)N[13C](=O)N1/N=C/C2=CC=C(O2)[N+](=O)[O-]
Canonical SMILES	C1C(=O)NC(=O)N1N=CC2=CC=C(O2)[N+](=O)[O-]
InChI	InChI=1S/C8H6N4O5/c13-6-4-11(8(14)10-6)9-3-5-1-2-7(17-5)12(15)16/h1-3H,4H2,(H,10,13,14)/b9-3+/i4+1,6+1,8+1
InChI Key	NXFQHRVNIOXGAQ-PZGYLZBDSA-N
Melting Point	>258 °C (dec.)
Purity	≥97%; ≥98% atom 13C
Solubility	Soluble in DMSO (Slightly), Methanol (Slightly, Heated, Sonicated)
Appearance	Light Yellow to Yellow Solid
Storage	Store at -20°C under inert atmosphere