Moxifloxacin - Moligand™, ≥98% , CAS No.151096-09-2

CAS: 151096-09-2 Cat. No.: M302962 Peso molecular: 401.43 Número EC: 604-773-0

GRADE & PURITY Moligand™, ≥98%

Synonyms

Zimoxin | 1-Cyclopropyl-6-fluoro-7-((4aS,7aS)-hexahydro-1H-pyrrolo[3,4-b]pyridin-6(2H)-yl)-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylicacid | CCRIS 8690 | moxifloxacin | Moxifloxacine | Avolex | U188XYD42P | CHEBI:63611 | Avelox IV | UNII-U188XYD42P

Storage

Store at -20°C,Argon charged,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

Zimoxin | 1-Cyclopropyl-6-fluoro-7-((4aS, 7aS)-hexahydro-1H-pyrrolo[3, 4-b]pyridin-6(2H)-yl)-8-methoxy-4-oxo-1, 4-dihydroquinoline-3-carboxylicacid | CCRIS 8690 | moxifloxacin | Moxifloxacine | Avolex | U188XYD42P | CHEBI:63611 | Avelox IV | UNII-U188XYD42P

Especificaciones y pureza

Moligand™, ≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged, Desiccated

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488188256
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188256
• Sonrisas canónicas: COC1=C2C(=CC(=C1N3CC4CCCNC4C3)F)C(=O)C(=CN2C5CC5)C(=O)O
• 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-methoxy-4-oxoquinoline-3-carboxylic acid
• InChIKey: FABPRXSRWADJSP-MEDUHNTESA-N
• INCHI: 1S/C21H24FN3O4/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28)/t11-,16+/m0/s1
• Isómeros SMILES: COC1=C2C(=CC(=C1N3C[C@@H]4CCCN[C@@H]4C3)F)C(=O)C(=CN2C5CC5)C(=O)O
• Peso molecular: 401.43
• Reaxy-Rn: 9165045
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9165045&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinolines and derivatives
• Subclass: Quinoline carboxylic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinoline carboxylic acids
• Alternative Parents: Fluoroquinolones Haloquinolines Hydroquinolones Aminoquinolines and derivatives Hydroquinolines Pyrrolopyridines Pyridinecarboxylic acids Methoxyanilines Dialkylarylamines Anisoles Alkyl aryl ethers Aryl fluorides Piperidines Pyrrolidines Heteroaromatic compounds Vinylogous amides Amino acids Azacyclic compounds Dialkylamines Carboxylic acids Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organofluorides Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline-3-carboxylic acid - Fluoroquinolone - Aminoquinoline - Haloquinoline - Dihydroquinolone - Dihydroquinoline - Pyrrolopyridine - Pyridine carboxylic acid or derivatives - Pyridine carboxylic acid - Methoxyaniline - Anisole - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Alkyl aryl ether - Aryl halide - Aryl fluoride - Benzenoid - Piperidine - Pyridine - Heteroaromatic compound - Vinylogous amide - Pyrrolidine - Amino acid or derivatives - Tertiary amine - Amino acid - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Ether - Azacycle - Monocarboxylic acid or derivatives - Organic oxygen compound - Organooxygen compound - Amine - Organonitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organohalogen compound - Organofluoride - Aromatic heteropolycyclic compound
• Descripción: 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: aromatic ether - cyclopropanes - quinolone antibiotic - fluoroquinolone antibiotic - quinolone - quinolinemonocarboxylic acid - pyrrolidinopiperidine

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

Propiedades químicas y físicas

• Solubilidad: ≥11.62 mg/mL in EtOH with gentle warming and ultrasonic; ≥25.6 mg/mL in H2O with gentle warming and ultrasonic; ≥50.8 mg/mL in DMSO with gentle warming
• Sensibilidad: Moisture sensitive.
• Punto de ebullición (°C): 636.4°C
• Punto de fusión (°C): 203-208°C
• Peso molecular: 401.400 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 401.175 Da
• Monoisotopic Mass: 401.175 Da
• Topological Polar Surface Area: 82.100 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 727.000
• 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

Referencias

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