Chlorhydrate d'enrofloxacine - norme analytique , CAS No.112732-17-9

CAS: 112732-17-9 Cat. No.: E302224 Formule: C₁₉H₂₃ClFN₃O₃ Poids moléculaire: 395.86 Numéro CE: 688-293-7

GRADE & PURITY Analytical standard

Synonyms

FT-0687706 | 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid hydrochloride | 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride | Enrofloxacin (monohydrochloride) |

Storage

A conserver entre 2 et 8°C

Shipped In

Glace humide

Vue d’ensemble

Le monohydrochlorure d'enrofloxacine (monohydrochlorure de BAY Vp 2674) est un antibiotique efficace avec une CMI90 de 0,312 μg/mL pour Mycoplasma bovis. Le monohydrochlorure d'enrofloxacine présente une activité inhibitrice contre le virus de la vaccine (VV)

Specifications

Synonymes

FT-0687706 | 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid hydrochloride | 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride | Enrofloxacin (monohydrochloride) |

Spécifications et pureté

norme analytique

Conditions de stockage de stockage

A conserver entre 2 et 8°C

Expédié en

Glace humide

Grade

Étalon d'analyse

Noms et identifiants

• Pubchem Sid: 508815055
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/508815055
• Sourires canoniques: CCN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F.Cl
• IUPAC Name: 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride
• InChIKey: PZJWYUDBXNNVLZ-UHFFFAOYSA-N
• INCHI: 1S/C19H22FN3O3.ClH/c1-2-21-5-7-22(8-6-21)17-10-16-13(9-15(17)20)18(24)14(19(25)26)11-23(16)12-3-4-12;/h9-12H,2-8H2,1H3,(H,25,26);1H
• Isomères SMILES: CCN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F.Cl
• CAS alternatif: 93106-59-3
• Poids moléculaire: 395.86

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 Haloquinolines Hydroquinolones Aminoquinolines and derivatives Hydroquinolines Pyridinecarboxylic acids Dialkylarylamines N-alkylpiperazines Aryl fluorides Benzenoids Heteroaromatic compounds Vinylogous amides Trialkylamines Amino acids Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Hydrochlorides Organic oxides Organofluorides Organooxygen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline-3-carboxylic acid - Fluoroquinolone - N-arylpiperazine - Aminoquinoline - Haloquinoline - Dihydroquinolone - Dihydroquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Tertiary aliphatic/aromatic amine - Dialkylarylamine - N-alkylpiperazine - Benzenoid - Aryl fluoride - Pyridine - Aryl halide - Piperazine - 1,4-diazinane - Vinylogous amide - Heteroaromatic compound - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Amino acid - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organic oxide - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Organohalogen compound - Organofluoride - 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

Propriétés chimiques et physiques

• Sensibilité: Moisture sensitive
• Poids moléculaire: 395.900 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 395.141 Da
• Monoisotopic Mass: 395.141 Da
• Topological Polar Surface Area: 64.099 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 613.000
• 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: 2

XLogP3

Références

1. Ciyang Zhang, Keren Lu, Linrui Li, Wu Lei, Mingzhu Xia, Fengyun Wang.  (2023)  A water-stabilized Tb-MOF can be used as a sensitive and selective fluorescence sensor for the detection of oxytetracycline hydrochloride.  SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,      [PMID:37729814] [10.1016/j.saa.2023.123379]

2. Guo Huanyu, Chen Jing, Yuan Xuemei, Zhang Jian, Wang Jiayang, Yao Jiayun, Ge Haixia.  (2023)  The combined effect of a novel formula of herbal extracts on bacterial infection and immune response in Micropterus salmoides.  Frontiers in Microbiology,      [PMID:37333660] [10.3389/fmicb.2023.1185234]