Oxociprofloxacin - ≥96% , CAS No.103237-52-1

CAS: 103237-52-1 Cat. No.: O340802 Fórmula: C₁₇H₁₆FN₃O₄ Peso molecular: 345.33

GRADE & PURITY ≥96%

Synonyms

1-Cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(3-oxo-1-piperazinyl)-3-quinolinecarboxylic Acid

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

A metabolite of the fluorinated quinolone anti-bacterial Ciprofloxacin.

Specifications

Sinónimos

1-Cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(3-oxo-1-piperazinyl)-3-quinolinecarboxylic Acid

Especificações e pureza

≥96%

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥96%

Nomes e identificadores

Pubchem Sid

528772537

Sorrisos canónicos

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNC(=O)C4)F)C(=O)O

IUPAC Name

1-cyclopropyl-6-fluoro-4-oxo-7-(3-oxopiperazin-1-yl)quinoline-3-carboxylic acid

InChIKey

MYYZZOHRULFPOQ-UHFFFAOYSA-N

INCHI

1S/C17H16FN3O4/c18-12-5-10-13(6-14(12)20-4-3-19-15(22)8-20)21(9-1-2-9)7-11(16(10)23)17(24)25/h5-7,9H,1-4,8H2,(H,19,22)(H,24,25)

SMILES isoméricas

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNC(=O)C4)F)C(=O)O

Peso molecular

345.33

Reaxy-Rn

5360353

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5360353&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Quinolines and derivatives
• Subclass: Quinoline carboxylic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinoline carboxylic acids
• Alternative Parents: Fluoroquinolones N-arylpiperazines Alpha amino acid amides Haloquinolines Hydroquinolones Aminoquinolines and derivatives Hydroquinolines Pyridinecarboxylic acids Dialkylarylamines Aryl fluorides Benzenoids Heteroaromatic compounds Vinylogous amides Secondary carboxylic acid amides Lactams Amino acids Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline-3-carboxylic acid - Alpha-amino acid amide - Fluoroquinolone - N-arylpiperazine - Dihydroquinolone - Haloquinoline - Aminoquinoline - Alpha-amino acid or derivatives - Dihydroquinoline - Pyridine carboxylic acid or derivatives - Pyridine carboxylic acid - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Piperazine - Pyridine - Aryl fluoride - Aryl halide - 1,4-diazinane - Benzenoid - Heteroaromatic compound - Vinylogous amide - Carboxamide group - Amino acid or derivatives - Lactam - Amino acid - Tertiary amine - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Amine - Organic oxygen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organofluoride - Organohalogen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: Soluble in Acetic Acid and Tetrahydrofuran
• Índice de refração: n20D1.67 (Predicted)
• Ponto de ebulição (°C): 682.32° C at 760 mmHg (Predicted)
• Ponto de fusão (°C): >300° C
• Peso molecular: 345.320 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 345.112 Da
• Monoisotopic Mass: 345.112 Da
• Topological Polar Surface Area: 90.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 648.000
• 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