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Decarboxy Ciprofloxacin - 95%, high purity , CAS No.105394-83-0
an impurity of Ciprofloxacin
Basic Description
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-(
Specifications & Purity
≥95%
Storage Temp
Store at 2-8°C,Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
Decarboxy Ciprofloxacin is an impurity of Ciprofloxacin.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
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
Description
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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
1-cyclopropyl-6-fluoro-7-piperazin-1-ylquinolin-4-one
INCHI
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
InChIKey
QDYUSAJJDOBXBM-UHFFFAOYSA-N
Smiles
C1CC1N2C=CC(=O)C3=CC(=C(C=C32)N4CCNCC4)F
Isomeric SMILES
C1CC1N2C=CC(=O)C3=CC(=C(C=C32)N4CCNCC4)F
Molecular Weight
287.33
Reaxy-Rn
7039687
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7039687&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in DMSO and Methanol
Sensitivity
Moisture sensitive
Melt Point(°C)
190-196° C
Molecular Weight
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
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