Furagin - Moligand™, 10mM in DMSO , CAS No.1672-88-4

CAS: 1672-88-4 Cat. No.: F422073 Molecular Weight: 264.19 EC Number: 681-332-9

GRADE & PURITY Moligand™, 10mM in DMSO

Synonyms

1-(3-(5-nitro-2-furyl)-n-2-propenylidine)aminohydantoin | 1-(3-(5-Nitro-2-furyl)-N-2-propenylidine)amino-hydantoin | 1-[3-(5-Nitro-2-furyl)allylidenamino]hydantoin | Hydantoin, 1-((3-(5-nitro-2-furyl)allylidene)amino)- | 2,4-Imidazolidinedione, 1-[[3-(5-n

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonyms

1-(3-(5-nitro-2-furyl)-n-2-propenylidine)aminohydantoin | 1-(3-(5-Nitro-2-furyl)-N-2-propenylidine)amino-hydantoin | 1-[3-(5-Nitro-2-furyl)allylidenamino]hydantoin | Hydantoin, 1-((3-(5-nitro-2-furyl)allylidene)amino)- | 2, 4-Imidazolidinedione, 1-[[3-(5-n

Specifications & Purity

Moligand™, 10mM in DMSO

Biochemical and Physiological Mechanisms

Furagin is an anti-bacterial, nitrofurantoin analog with the same efficacy in treating acute cystitis as Ciprofloxacin; however, the duration of therapy is longer.

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Names and Identifiers

• Canonical Smiles: C1C(=O)NC(=O)N1N=CC=CC2=CC=C(O2)[N+](=O)[O-]
• IUPAC Name: 1-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]imidazolidine-2,4-dione
• InChIKey: DECBQELQORZLLP-UAIOPKHMSA-N
• INCHI: 1S/C10H8N4O5/c15-8-6-13(10(16)12-8)11-5-1-2-7-3-4-9(19-7)14(17)18/h1-5H,6H2,(H,12,15,16)/b2-1+,11-5+
• Isomeric SMILES: C1C(=O)NC(=O)N1/N=C/C=C/C2=CC=C(O2)[N+](=O)[O-]
• Molecular Weight: 264.19
• Reaxy-Rn: 8146299
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8146299&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azolidines
      • Subclass Imidazolidines
        • Level5 Imidazolidinones
          • Level6 Imidazolidinediones
            • Level7 Hydantoins

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azolidines
• Subclass: Imidazolidines
• Intermediate Tree Nodes: Imidazolidinones - Imidazolidinediones
• Direct Parent: Hydantoins
• Alternative Parents: Alpha amino acids and derivatives Nitroaromatic compounds Nitrofurans Semicarbazones Dicarboximides Heteroaromatic compounds Organic carbonic acids and derivatives N-alkylated hydrazones Oxacyclic compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic zwitterions
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Hydantoin - Alpha-amino acid or derivatives - Nitroaromatic compound - 2-nitrofuran - Semicarbazone - Dicarboximide - Furan - Heteroaromatic compound - Semicarbazide - C-nitro compound - Carbonic acid derivative - N-alkylated hydrazone - Organic nitro compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Azacycle - Oxacycle - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic zwitterion - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as hydantoins. These are heterocyclic compounds containing an imidazolidine substituted by ketone group at positions 2 and 4.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 264.190 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 264.049 Da
• Monoisotopic Mass: 264.049 Da
• Topological Polar Surface Area: 121.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 455.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1