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

CAS: 151096-09-2 Cat. No.: M302962 Formula: C₂₁H₂₄FN₃O₄ Peso molecolare: 401.43 Numero 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

Sinonimi

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

Specifiche e purezza

Moligand™, ≥98%

Condizioni di conservazione di stoccaggio

Store at -20°C,Argon charged,Desiccated

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Moligand™

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488188256

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488188256

Sorrisi canonici

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

Isomeri SMILES

COC1=C2C(=CC(=C1N3C[C@@H]4CCCN[C@@H]4C3)F)C(=O)C(=CN2C5CC5)C(=O)O

Peso molecolare

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
    • Classe Quinolines and derivatives
      • Subclass Quinoline carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: ≥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
• Sensibilità: Moisture sensitive.
• Punto di ebollizione (°C): 636.4°C
• Punto di fusione (°C): 203-208°C
• Peso molecolare: 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