Decarboxy Ciprofloxacin - ≥95% , CAS No.105394-83-0

CAS: 105394-83-0 Cat. No.: D330768 Summenformel: C₁₆H₁₈FN₃O Molekulargewicht: 287.33 EG-Nummer: 641-530-8

GRADE & PURITY ≥95%

Synonyms

CIPROFLOXACIN IMPURITY E [EP IMPURITY] | SCHEMBL1915366 | 4(1H)-Quinolinone, 1-cyclopropyl-6-fluoro-7-(1-piperazinyl)- | SQ-4002 | J-001412 | FGL76AE74S | Decarboxy Ciprofloxacin | AKOS030240469 | Ciprofloxacin impurity E [EP] | 1-cyclopropyl-6-fluoro-7-(

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Übersicht

Decarboxy Ciprofloxacin is an impurity of Ciprofloxacin.

Specifications

Synonyme

CIPROFLOXACIN IMPURITY E [EP IMPURITY] | SCHEMBL1915366 | 4(1H)-Quinolinone, 1-cyclopropyl-6-fluoro-7-(1-piperazinyl)- | SQ-4002 | J-001412 | FGL76AE74S | Decarboxy Ciprofloxacin | AKOS030240469 | Ciprofloxacin impurity E [EP] | 1-cyclopropyl-6-fluoro-7-(

Spezifikationen & Reinheit

≥95%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

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

Reinheit

≥95%

Namen und Kennungen

• Pubchem Sid: 508816305
• Kanonisches Lächeln: C1CC1N2C=CC(=O)C3=CC(=C(C=C32)N4CCNCC4)F
• IUPAC Name: 1-cyclopropyl-6-fluoro-7-piperazin-1-ylquinolin-4-one
• InChIKey: QDYUSAJJDOBXBM-UHFFFAOYSA-N
• INCHI: 1S/C16H18FN3O/c17-13-9-12-14(10-15(13)19-7-4-18-5-8-19)20(11-1-2-11)6-3-16(12)21/h3,6,9-11,18H,1-2,4-5,7-8H2
• Isomere SMILES: C1CC1N2C=CC(=O)C3=CC(=C(C=C32)N4CCNCC4)F
• Molekulargewicht: 287.33
• Reaxy-Rn: 7039687
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7039687&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Quinolines and derivatives
      • Subclass Quinolones and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Quinolines and derivatives
• Subclass: Quinolones and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluoroquinolones
• Alternative Parents: N-arylpiperazines Aminoquinolines and derivatives Hydroquinolones Haloquinolines Hydroquinolines Dialkylarylamines Pyridines and derivatives Aryl fluorides Benzenoids Vinylogous amides Heteroaromatic compounds Azacyclic compounds Dialkylamines Hydrocarbon derivatives Organic oxides Organofluorides Organooxygen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Fluoroquinolone - N-arylpiperazine - Aminoquinoline - Haloquinoline - Dihydroquinolone - Dihydroquinoline - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Benzenoid - Aryl fluoride - Aryl halide - Pyridine - Piperazine - 1,4-diazinane - Vinylogous amide - Heteroaromatic compound - Tertiary amine - Azacycle - Secondary amine - Secondary aliphatic amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Amine - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as fluoroquinolones. These are compounds containing a fluorine atom attached to a quinolone. Quinolone or benzo[b]pyridine is a bicyclic compound that consists of benzene fused to a pyridine, and bears a ketone group.
• 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

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in DMSO and Methanol
• Empfindlichkeit: Moisture sensitive
• Schmelzpunkt (°C): 190-196° C
• Molekulargewicht: 287.330 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 287.143 Da
• Monoisotopic Mass: 287.143 Da
• Topological Polar Surface Area: 35.600 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 445.000
• 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