Decarboxy moxifloxacin - ≥98% , CAS No.1322062-57-6

CAS: 1322062-57-6 Cat. No.: D964741 EC Number: 806-080-0 PubChem CID: 56673587

GRADE & PURITY ≥98%

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: COC1=C2C(=CC(=C1N3CC4CCCNC4C3)F)C(=O)C=CN2C5CC5
• IUPAC Name: 7-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxyquinolin-4-one
• InChIKey: OULQTEYVKYNDBD-BLLLJJGKSA-N
• INCHI: 1S/C20H24FN3O2/c1-26-20-18-14(17(25)6-8-24(18)13-4-5-13)9-15(21)19(20)23-10-12-3-2-7-22-16(12)11-23/h6,8-9,12-13,16,22H,2-5,7,10-11H2,1H3/t12-,16+/m0/s1
• Isomeric SMILES: COC1=C2C(=CC(=C1N3C[C@@H]4CCCN[C@@H]4C3)F)C(=O)C=CN2C5CC5
• Alternate CAS: 1322062-57-6
• PubChem CID: 56673587

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Quinolones and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluoroquinolones
• Alternative Parents: Aminoquinolines and derivatives Hydroquinolones Haloquinolines Hydroquinolines Pyrrolopyridines Methoxyanilines Anisoles Dialkylarylamines Alkyl aryl ethers Pyridines and derivatives Piperidines Aryl fluorides Vinylogous amides Pyrrolidines Heteroaromatic compounds Azacyclic compounds Dialkylamines Hydrocarbon derivatives Organic oxides Organopnictogen compounds Organofluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Fluoroquinolone - Aminoquinoline - Haloquinoline - Dihydroquinolone - Dihydroquinoline - Pyrrolopyridine - Methoxyaniline - Anisole - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Alkyl aryl ether - Aryl fluoride - Aryl halide - Piperidine - Pyridine - Benzenoid - Pyrrolidine - Vinylogous amide - Heteroaromatic compound - Tertiary amine - Secondary amine - Azacycle - Secondary aliphatic amine - Ether - Organopnictogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organofluoride - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 357.400 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 357.185 Da
• Monoisotopic Mass: 357.185 Da
• Topological Polar Surface Area: 44.800 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 596.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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