Enoxacin Sesquihydrate - 10mM in DMSO , CAS No.84294-96-2

CAS: 84294-96-2 Cat. No.: E426193 Molecular Weight: 320.32(as Anhydrous)

GRADE & PURITY 10mM in DMSO

Synonyms

Enoxacin Sesquihydrate|84294-96-2|Enoxacin hydrate|I9CD31N8WB|CI-919 hydrate|1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid;trihydrate|1,8-Naphthyridine-3-carboxylic acid, 1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-,

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Enoxacin is an oral broad-spectrum fluoroquinolone antibacterial agent used in the treatment of urinary tract infections and gonorrhea. Insomnia is a common adverse effect.
A quinolone antibacterial agent that acts on DNA gyrase.

Specifications

Synonyms

Enoxacin Sesquihydrate | 84294-96-2 | Enoxacin hydrate | I9CD31N8WB | CI-919 hydrate | 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1, 8-naphthyridine-3-carboxylic acid;trihydrate | 1, 8-Naphthyridine-3-carboxylic acid, 1-ethyl-6-fluoro-1, 4-dihydro-4-oxo-7-(1-piperazinyl)-,

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

Enoxacin is a quinolone antibacteral agent. Acts on DNA gyrase.

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.

Names and Identifiers

• Canonical Smiles: CCN1C=C(C(=O)C2=CC(=C(N=C21)N3CCNCC3)F)C(=O)O.CCN1C=C(C(=O)C2=CC(=C(N=C21)N3CCNCC3)F)C(=O)O.O.O.O
• IUPAC Name: 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid;trihydrate
• InChIKey: DKNNITGJCMPHKE-UHFFFAOYSA-N
• INCHI: 1S/2C15H17FN4O3.3H2O/c2*1-2-19-8-10(15(22)23)12(21)9-7-11(16)14(18-13(9)19)20-5-3-17-4-6-20;;;/h2*7-8,17H,2-6H2,1H3,(H,22,23);3*1H2
• Isomeric SMILES: CCN1C=C(C(=O)C2=CC(=C(N=C21)N3CCNCC3)F)C(=O)O.CCN1C=C(C(=O)C2=CC(=C(N=C21)N3CCNCC3)F)C(=O)O.O.O.O
• Alternate CAS: 74011-58-8
• Molecular Weight: 320.32(as Anhydrous)
• Reaxy-Rn: 56910217
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=56910217&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazanaphthalenes
      • Subclass Naphthyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazanaphthalenes
• Subclass: Naphthyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthyridine carboxylic acids and derivatives
• Alternative Parents: Pyridinylpiperazines N-arylpiperazines Fluoroquinolones Pyridinecarboxylic acids Dialkylarylamines Aminopyridines and derivatives Aryl fluorides Imidolactams Vinylogous amides Heteroaromatic compounds Amino acids Azacyclic compounds Dialkylamines Carboxylic acids Hydrocarbon derivatives Organic oxides Organofluorides Organooxygen compounds
• Molecular Framework: Not available
• Substituents: Naphthyridine carboxylic acid - Fluoroquinolone - N-arylpiperazine - Pyridinylpiperazine - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Dialkylarylamine - Aminopyridine - Aryl fluoride - Aryl halide - 1,4-diazinane - Piperazine - Imidolactam - Pyridine - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Amino acid - Azacycle - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Organooxygen compound - Hydrocarbon derivative - Amine - Organohalogen compound - Organofluoride - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthyridine carboxylic acids and derivatives. These are compounds containing a naphthyridine moiety, where one of the ring atoms bears a carboxylic acid group.
• 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

Chemical and Physical Properties

• Sensitivity: Light sensitive,Hygroscopic.
• Melt Point(°C): 225.0 - 229.0 °C
• Molecular Weight: 694.700 g/mol
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 19
• Rotatable Bond Count: 6
• Exact Mass: 694.289 Da
• Monoisotopic Mass: 694.289 Da
• Topological Polar Surface Area: 175.000 Ų
• Heavy Atom Count: 49
• Formal Charge: 0
• Complexity: 521.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 5

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