N-Desmethyl ofloxacin (Standard) , CAS No.82419-52-1

CAS: 82419-52-1 Cat. No.: N1439923 Molecular Weight: 2433.7 Beilstein Registry Number: 4890029 EC Number: 809-501-6 PubChem CID: 11725233

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

N-Desmethyl ofloxacin (Standard) is the analytical standard of N-Desmethyl ofloxacin. This product is intended for research and analytical applications. N-Desmethyl ofloxacin is a biochemical reagent that can be used as a biological material or organic compound for life science related research.

Specifications

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Names and Identifiers

• Canonical Smiles: CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCNCC4)F)C(=O)O
• IUPAC Name: 7-fluoro-2-methyl-10-oxo-6-piperazin-1-yl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
• InChIKey: WKRSSAPQZDHYRV-UHFFFAOYSA-N
• INCHI: 1S/C17H18FN3O4/c1-9-8-25-16-13-10(15(22)11(17(23)24)7-21(9)13)6-12(18)14(16)20-4-2-19-3-5-20/h6-7,9,19H,2-5,8H2,1H3,(H,23,24)
• Isomeric SMILES: CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCNCC4)F)C(=O)O
• PubChem CID: 11725233
• Molecular Weight: 2433.7
• Beilstein: 4890029

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Quinoline carboxylic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinoline carboxylic acids
• Alternative Parents: Fluoroquinolones N-arylpiperazines Aminoquinolines and derivatives Haloquinolines Hydroquinolones Hydroquinolines Benzoxazines Pyridinecarboxylic acids Dialkylarylamines Alkyl aryl ethers Aryl fluorides Benzenoids Heteroaromatic compounds Vinylogous amides Amino acids Oxacyclic compounds Azacyclic compounds Dialkylamines Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline-3-carboxylic acid - N-arylpiperazine - Fluoroquinolone - Aminoquinoline - Haloquinoline - Dihydroquinolone - Benzoxazine - Dihydroquinoline - Pyridine carboxylic acid or derivatives - Pyridine carboxylic acid - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Alkyl aryl ether - 1,4-diazinane - Piperazine - Aryl halide - Aryl fluoride - Benzenoid - Pyridine - Heteroaromatic compound - Vinylogous amide - Tertiary amine - Amino acid or derivatives - Amino acid - Secondary amine - Carboxylic acid derivative - Azacycle - Oxacycle - Ether - Carboxylic acid - Secondary aliphatic amine - Organooxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organic oxygen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: 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