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

CAS: 117707-40-1 Cat. No.: D330778 Fórmula: C₁₇H₁₈FN₃O₄ Peso molecular: 347.34 Número CE: 808-725-1 PubChem CID: 10958963

GRAU & PUREZA ≥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

Visão geral

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.

Especificações

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

Especificações e pureza

≥98%

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

≥98%

Nomes e identificadores

Pubchem Sid

528770411

Sorrisos canónicos

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

SMILES isoméricas

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
    • 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 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
• 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

Alvos associados (não 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 ação

Propriedades químicas e físicas

• Ponto de fusão (°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