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Application Area
Environmental
Environmental

Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.

Clinical diagnostic
Clinical diagnostic

In addition to treating various diseases, isotopes are used for imaging, diagnosis, and newborn screening.

Organic Chemistry
Organic Chemistry

Small molecule compounds labeled with stable isotopes can be used as chemical reference for chemical identification, qualitative, quantitative, detection, etc. Various types of NMR solvents can be used to study the structure, reaction mechanism and reaction kinetics of compounds.

Metabolic Research
Metabolic Research

Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.

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
Nitrofurantoin-[13C3]
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
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