Moxifloxacin Hydrochloride Monohydrate - ≥98%(HPLC)(T) , CAS No.192927-63-2

CAS: 192927-63-2 Cat. No.: M158421 Peso molecular: 437.90(as Anhydrous) Número EC: 833-744-7

GRADE & PURITY ≥98%(HPLC)(T)

Synonyms

NCGC00183881-01 | D11618 | Moxifloxacin hydrochloride monohydrate | Q27274499 | SCHEMBL1402247 | 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-carboxylicacidhydrochloridehydrate | D

Storage

Room temperature

Shipped In

Normal

Descripción general

Moxifloxacin, Hydrochloride Monohydrate is a fluorinated quinolone with antibacterial properties.
A fluorinated quinolone

Specifications

Sinónimos

NCGC00183881-01 | D11618 | Moxifloxacin hydrochloride monohydrate | Q27274499 | SCHEMBL1402247 | 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-carboxylicacidhydrochloridehydrate | D

Especificaciones y pureza

≥98%(HPLC)(T)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(HPLC)(T)

Nombres e identificadores

• Pubchem Sid: 504765050
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765050
• Sonrisas canónicas: COC1=C2C(=CC(=C1N3CC4CCCNC4C3)F)C(=O)C(=CN2C5CC5)C(=O)O.O.Cl
• 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;hydrate;hydrochloride
• InChIKey: SKZIMSDWAIZNDD-WJMOHVQJSA-N
• INCHI: 1S/C21H24FN3O4.ClH.H2O/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);1H;1H2/t11-,16+;;/m0../s1
• Isómeros SMILES: COC1=C2C(=CC(=C1N3C[C@@H]4CCCN[C@@H]4C3)F)C(=O)C(=CN2C5CC5)C(=O)O.O.Cl
• RTECS: VB1983750
• CAS alternativo: 151096-09-2
• Peso molecular: 437.90(as Anhydrous)
• Reaxy-Rn: 52559724
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=52559724&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 Piperidines Aryl fluorides Pyrrolidines Vinylogous amides Heteroaromatic compounds Amino acids Monocarboxylic acids and derivatives Azacyclic compounds Dialkylamines Carboxylic acids Hydrocarbon derivatives Hydrochlorides Organic oxides Organofluorides Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline-3-carboxylic acid - Fluoroquinolone - Dihydroquinolone - Aminoquinoline - Haloquinoline - Dihydroquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Pyrrolopyridine - Methoxyaniline - Anisole - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Alkyl aryl ether - Piperidine - Aryl fluoride - Pyridine - Aryl halide - Benzenoid - Pyrrolidine - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Amino acid - Tertiary amine - Azacycle - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Ether - Secondary amine - Monocarboxylic acid or derivatives - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrochloride - Organooxygen compound - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - 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: 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

Objetivos asociados (humanos)

Liver (3974 Activities)

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Objetivos asociados (no humanos)

Cynomolgus monkey (4946 Activities)

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Plasma (328 Activities)

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Serum (58 Activities)

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Lung (9 Activities)

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Kidney (1278 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 240 °C(dec.)
• Peso molecular: 455.900 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 455.162 Da
• Monoisotopic Mass: 455.162 Da
• Topological Polar Surface Area: 83.100 Ų
• Heavy Atom Count: 31
• 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: 3

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