Antibacterial agent 19 - ≥99% , CAS No.79660-59-6

CAS: 79660-59-6 Cat. No.: A960714 Summenformel: C₁₆H₁₆F₂N₂O₄ Molekulargewicht: 338.310

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Spezifikationen & Reinheit

≥99%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

INHIBITOR

Reinheit

≥99%

Namen und Kennungen

• Kanonisches Lächeln: CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CCOCC3)F)C(=O)O
• IUPAC Name: 1-ethyl-6,8-difluoro-7-morpholin-4-yl-4-oxoquinoline-3-carboxylic acid
• InChIKey: DASUZCVFUIROFI-UHFFFAOYSA-N
• INCHI: 1S/C16H16F2N2O4/c1-2-19-8-10(16(22)23)15(21)9-7-11(17)14(12(18)13(9)19)20-3-5-24-6-4-20/h7-8H,2-6H2,1H3,(H,22,23)
• Molekulargewicht: 338.310

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Quinolines and derivatives
      • Subclass Quinoline carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Quinolines and derivatives
• Subclass: Quinoline carboxylic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinoline carboxylic acids
• Alternative Parents: Fluoroquinolones Haloquinolines Hydroquinolones Aminoquinolines and derivatives Hydroquinolines Pyridinecarboxylic acids Dialkylarylamines Aryl fluorides Morpholines Benzenoids Heteroaromatic compounds Vinylogous amides Amino acids Dialkyl ethers Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline-3-carboxylic acid - Fluoroquinolone - Aminoquinoline - Haloquinoline - Dihydroquinolone - Dihydroquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aryl fluoride - Aryl halide - Morpholine - Oxazinane - Pyridine - Benzenoid - Vinylogous amide - Heteroaromatic compound - Amino acid - Amino acid or derivatives - Tertiary amine - Azacycle - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Dialkyl ether - Ether - Amine - Organic oxygen compound - Organopnictogen compound - Organic oxide - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as quinoline carboxylic acids. These are quinolines in which the quinoline ring system is substituted by a carboxyl group at one or more positions.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 338.310 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 338.108 Da
• Monoisotopic Mass: 338.108 Da
• Topological Polar Surface Area: 70.100 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 550.000
• 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: 1