Nifurtoinol

Base Information

• Chemical Name: Nifurtoinol
• CAS No.: 1088-92-2
• Molecular Formula: C9H8 N4 O6
• Molecular Weight: 268.186
• European Community (EC) Number: 214-126-0
• UNII: 980688H13O
• DSSTox Substance ID: DTXSID30148747
• Wikipedia: Nifurtoinol
• NCI Thesaurus Code: C90997
• Metabolomics Workbench ID: 154515
• ChEMBL ID: CHEMBL1697763
• Mol file: 1088-92-2.mol

Synonyms:3-hydroxymethylnitrofurantoin;nifurtoinol;urfadyn;Urfadyn PL

Chemical Property of Nifurtoinol

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.6590 (estimate)
• Boiling Point: 447.8°Cat760mmHg
• Flash Point: 224.6°C
• PSA: 132.17000
• Density: 1.78g/cm³
• LogP: 0.13470
• Water Solubility.: 0.33g/L(22 oC)
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 268.04438399
• Heavy Atom Count: 19
• Complexity: 433

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-(HYDROXYMETHYL)-1-[[(E)-(5-NITRO-2-FURYL)METHYLIDENE]AMINO]-2,4-IMIDAZOLIDINEDIONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(=O)N(C(=O)N1N=CC2=CC=C(O2)[N+](=O)[O-])CO
• Isomeric SMILES: C1C(=O)N(C(=O)N1/N=C/C2=CC=C(O2)[N+](=O)[O-])CO
• Therapeutic Function: Antibacterial

Technology Process of Nifurtoinol

There total 1 articles about Nifurtoinol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ 3-hydroxymethyl-1-(5-nitro-furan-2-ylmethyleneamino)-imidazolidine-2,4-dione (1088-92-2)

Guidance literature:

1-(5-Nitro-furfurylidenamino)-hydantoin, 37percentig.wss.CH2O <Δ>;