Defluoro Levofloxacin - ≥98% , CAS No.117620-85-6

CAS: 117620-85-6 Cat. No.: D337385 Summenformel: C₁₈H₂₁N₃O₄ Molekulargewicht: 343.38 EG-Nummer: 110-990-7

GRADE & PURITY ≥98%

Synonyms

9-Desfluoro levofloxacin | Q27294726 | UNII-YUN0U61KHH | (S)-2,3-Dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-7H-pyrido(1,2,3-de)(1,4)benzoxazine-6-carboxylic acid | DefluoroLevofloxacin | Levofloxacin impurity, 9-desfluoro levofloxacin- [USP] | (2S

Storage

Store at 2-8°C

Shipped In

Wet ice

Übersicht

Defluoro Levofloxacin is the nonfluorinated analog of Levofloxacin.

Specifications

Synonyme

9-Desfluoro levofloxacin | Q27294726 | UNII-YUN0U61KHH | (S)-2,3-Dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-7H-pyrido(1,2,3-de)(1,4)benzoxazine-6-carboxylic acid | DefluoroLevofloxacin | Levofloxacin impurity, 9-desfluoro levofloxacin- [USP] | (2S

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Produkteigenschaften

• pKa: pKa: 5.64 (Predicted), pKa: 7.63 (Predicted)

Namen und Kennungen

• Pubchem Sid: 504769450
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769450
• Kanonisches Lächeln: CC1COC2=C(C=CC3=C2N1C=C(C3=O)C(=O)O)N4CCN(CC4)C
• IUPAC Name: (2S)-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid
• InChIKey: ANLIAKDHRADSBT-NSHDSACASA-N
• INCHI: 1S/C18H21N3O4/c1-11-10-25-17-14(20-7-5-19(2)6-8-20)4-3-12-15(17)21(11)9-13(16(12)22)18(23)24/h3-4,9,11H,5-8,10H2,1-2H3,(H,23,24)/t11-/m0/s1
• Isomere SMILES: C[C@H]1COC2=C(C=CC3=C2N1C=C(C3=O)C(=O)O)N4CCN(CC4)C
• Molekulargewicht: 343.38
• Reaxy-Rn: 6009059
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6009059&ln=

Taxonomic Classification

Taxonomy Tree

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

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

Zugehörige Ziele (nicht menschlich)

Top2 DNA topoisomerase II (15 Activities)

Discover Target: Top2

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Streptococcus pneumoniae (31063 Activities)

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Streptococcus viridans (303 Activities)

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Pseudomonas aeruginosa (123386 Activities)

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Enterobacter cloacae (7976 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Staphylococcus epidermidis (22802 Activities)

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Moraxella catarrhalis (3334 Activities)

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Escherichia coli (133304 Activities)

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Proteus mirabilis (3894 Activities)

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Streptococcus pyogenes (16140 Activities)

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Enterococcus faecium (13803 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in DMSO, and methanol.
• Brechungsindex: n20D1.69 (Predicted)
• Siedepunkt (°C): ~561.4° C at 760 mmHg (Predicted)
• Schmelzpunkt (°C): 217-223° C
• Molekulargewicht: 343.400 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 343.153 Da
• Monoisotopic Mass: 343.153 Da
• Topological Polar Surface Area: 73.300 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 599.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 117620-85-6, the molecular formula is C18H21N3O4, and the molecular weight is 343.38 g/mol. InChIKey ANLIAKDHRADSBT-NSHDSACASA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.