Desmethyl Levofloxacin - ≥98% , CAS No.117707-40-1

CAS: 117707-40-1 Cat. No.: D330778 Peso molecular: 347.34 Número EC: 808-725-1 PubChem CID: 10958963

GRADE & PURITY ≥98%

Synonyms

N-Desmethyl levofloxacin | Desmethyl levofloxacin | Levofloxacin Related Compound A | (S)-9-Fluoro-2,3-dihydro-3-methyl-10-(piperazin-1-yl)-7-oxo-7H-pyrido(1,2,3-de)(1,4)benzoxazine-6-carboxyl

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Product Describtion:

Desmethyl Levofloxacin is a metabolite of Levofloxacin. Levofloxacin, a synthetic fluoroquinolone, is an antibacterial agent that inhibits the supercoiling activity of bacterial DNA gyrase, halting DNA replication.

Specifications

Sinónimos

N-Desmethyl levofloxacin | Desmethyl levofloxacin | Levofloxacin Related Compound A | (S)-9-Fluoro-2, 3-dihydro-3-methyl-10-(piperazin-1-yl)-7-oxo-7H-pyrido(1, 2, 3-de)(1, 4)benzoxazine-6-carboxyl

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C[C@H]1COc2c(N3CCNCC3)c(F)cc4C(=O)C(=CN1c24)C(O)=O
• IUPAC Name: (2S)-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-VIFPVBQESA-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)/t9-/m0/s1
• Isómeros SMILES: C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCNCC4)F)C(=O)O
• PubChem CID: 10958963
• Peso molecular: 347.34

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Objetivos asociados (no humanos)

Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Shigella flexneri (1836 Activities)

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Staphylococcus aureus (210822 Activities)

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Staphylococcus epidermidis (22802 Activities)

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Escherichia coli (133304 Activities)

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Salmonella typhi (4293 Activities)

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Serratia marcescens (3237 Activities)

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Bacillus subtilis (32866 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): >220° C (dec.)
• Peso molecular: 347.340 g/mol
• XLogP3: -0.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 347.128 Da
• Monoisotopic Mass: 347.128 Da
• Topological Polar Surface Area: 82.100 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 607.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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