1-Cyclopropyl-6-fluoro-7-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]hept-2-yl]-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid

Basic Information

View in Editor

CAS Number

112398-08-0

Molecular Formula

C19H20FN3O3

Molecular Weight

357.39 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

268-272 C

Boiling Point

569.3±50.0 °C at 760 mmHg

Density

1.5±0.1 g/cm3

Water Solubility

Soluble in water, acetic acid and DMSO

Flash Point

298.1±30.1 °C

Refractive Index

1.679

Vapor Pressure

0.0±1.6 mmHg at 25°C

SMILES

View in Editor

CN1CC2CC1CN2C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)F

InChI

InChI=1S/C19H20FN3O3/c1-21-7-12-4-11(21)8-22(12)17-6-16-13(5-15(17)20)18(24)14(19(25)26)9-23(16)10-2-3-10/h5-6,9-12H,2-4,7-8H2,1H3,(H,25,26)/t11-,12-/m0/s1

InChIKey

QMLVECGLEOSESV-RYUDHWBXSA-N

LogP

2.0664

Topological Polar Surface Area

65.78 Å²

Hydrogen Bond Donor/Acceptor

1 / 6

Complexity

679

Synonyms & References

English

Danofloxacine [INN-French]
DANOFLOXACIN [GREEN BOOK]
Tox21_112177
DB11393
MFCD00864910
Danofloxacinum [INN-Latin]
SCHEMBL149627
CHEMBL157548
UNII-24CU1YS91D
Danofloxacin, VETRANAL(TM), analytical standard
Danofloxacin
Danofloxacine
F87699
Danofloxacin (INN)
Danofloxacin [INN:BAN]
Danofloxacinum
A180
Danofloxacin 100 microg/mL in Acetonitrile
24CU1YS91D
AB01566811_01
Q5220980
112398-08-0
1-cyclopropyl-6-fluoro-7-[(1s,4s)-3-methyl-3,6-diazabicyclo[2.2.1]heptan-6-yl]-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid
MLS004774070
A180 (TN)
CS-W011833
Advocin
SMR003500744
1-cyclopropyl-6-fluoro-7-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
NCGC00164548-01
Danofloxacinum (INN-Latin)

MDL Number

MFCD00864910

FAQ

What regulatory guidelines apply to 1-Cyclopropyl-6-fluoro-7-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]hept-2-yl]-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid (CAS: 112398-08-0)?

This compound requires adherence to GHS classification for hazardous chemicals, including safety data sheets (SDS) and proper labeling. For manufacturing and import/export, it must comply with REACH regulations, ensuring that it is registered if the annual tonnage threshold is exceeded. Additionally, FDA and EPA may have specific requirements for its use in pharmaceuticals and environmental handling, respectively.

Are there alternatives to 1-Cyclopropyl-6-fluoro-7-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]hept-2-yl]-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid (CAS: 112398-08-0) in synthesis?

While this compound is specific, there are similar quinoline derivatives that can serve as alternatives. Common substitutes include 1-cyclopropylquinoline and 1,4-dihydro-3-quinolinecarboxylic acid. These alternatives can be synthesized using analogous reagents and conditions, providing similar functionalities.

What is the market or research trend for 1-Cyclopropyl-6-fluoro-7-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]hept-2-yl]-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid (CAS: 112398-08-0)?

The compound shows increasing interest in pharmaceutical research, particularly in the development of anti-inflammatory and anticancer drugs. Market trends indicate growing demand due to its unique biological activity, driving further research and development efforts. However, price fluctuations and supply chain considerations impact its availability.

How should waste containing 1-Cyclopropyl-6-fluoro-7-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]hept-2-yl]-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid (CAS: 112398-08-0) be handled?

Waste containing this compound should be collected and stored in appropriate containers, ensuring that it is neutralized or detoxified before disposal. Incineration is a common method, but professional waste disposal services are recommended to ensure compliance with environmental regulations. Proper handling involves wearing personal protective equipment and following safety protocols to prevent environmental contamination and health risks.