(1R)-6-Fluoro-1-methyl-7-{4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]-1-piperazinyl}-4-oxo-4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid

Basic Information

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CAS Number

123447-62-1

Molecular Formula

C21H20FN3O6S

Molecular Weight

461.47 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

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

220°C(dec.)

Boiling Point

698.5°C at 760 mmHg

Density

1.62

Flash Point

336.8 °C

Solubility

1 M NaOH: soluble25ML, clear, colorless (Solvent: 1 mg + 25 mL of NaOH)

Refractive Index

1.698

SMILES

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CC1N2C3=CC(=C(C=C3C(=O)C(=C2S1)C(=O)O)F)N4CCN(CC4)CC5=C(OC(=O)O5)C

InChI

InChI=1S/C21H20FN3O6S/c1-10-16(31-21(29)30-10)9-23-3-5-24(6-4-23)15-8-14-12(7-13(15)22)18(26)17(20(27)28)19-25(14)11(2)32-19/h7-8,11H,3-6,9H2,1-2H3,(H,27,28)/t11-/m1/s1

InChIKey

PWNMXPDKBYZCOO-LLVKDONJSA-N

LogP

2.6398200000000003

Topological Polar Surface Area

109.13000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 9

Complexity

931

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Prulifloxacin, Antibiotic for Culture Media Use Only
Prulifloxacin (NM441, AF 3013)
Prulifloxacin (hydrochloride)
BCP12727
BRD-A92341659-001-01-6
SB18983
Tox21_112235
123447-62-1
NM 441
GTPL12860
DB11892
NCGC00164615-03
AKOS005559236
NS00068018
HY-B0024
AC-2012
Q-101929
(+-)-7-(4-((Z)-2,3-Dihydroxy-2-butenyl)-1-piperazinyl)-6-fluoro-1-methyl-4-oxo-1H,4H-(1,3)thiazeto(3,2-a)quinoline-3-carboxylic acid, cyclic carbonate
Sword
AS-13607
Q3924793
CHEBI:32071
MFCD00864847
1H,4H-[1,3]Thiazeto[3,2-a]quinoline-3-carboxylic acid, 6-fluoro-1-methyl-7-[4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]-1-piperazinyl]-4-oxo-
SCHEMBL1650794
NM441
DTXCID8026480
UNII-J42298IESW
F20576
FT-0651733
6-fluoro-1-methyl-7-[4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]piperazin-1-yl]-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid

MDL Number

MFCD00864847

FAQ

What is (1R)-6-Fluoro-1-methyl-7-{4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]-1-piperazinyl}-4-oxo-4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid (CAS: 123447-62-1)?

This compound is a complex organic molecule with a molecular formula of C21H22FN3O5S. It contains a quinoline ring system fused with a thiazete ring, along with substituents such as a fluoro group, methyl group, and piperazinyl group. The compound is known for its structural complexity and potential pharmacological activity.

What are the main uses of (1R)-6-Fluoro-1-methyl-7-{4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]-1-piperazinyl}-4-oxo-4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid (CAS: 123447-62-1)?

This compound is primarily used in pharmaceutical research, particularly in the development of drugs targeting neurological and metabolic disorders. It may also find applications in medicinal chemistry as a lead compound for further optimization and drug discovery.

Is (1R)-6-Fluoro-1-methyl-7-{4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]-1-piperazinyl}-4-oxo-4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid (CAS: 123447-62-1) safe?

Safety of this compound depends on its specific application and exposure conditions. It is generally considered to have moderate toxicity and should be handled with appropriate protective measures, including gloves and ventilation. Always follow safety guidelines and regulatory standards when working with this chemical.

How should (1R)-6-Fluoro-1-methyl-7-{4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]-1-piperazinyl}-4-oxo-4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid (CAS: 123447-62-1) be stored?

This compound should be stored in a cool, dry, and dark place, preferably at 2-8°C. It is sensitive to moisture and light, so it should be kept in a sealed container with desiccant and away from direct sunlight to maintain stability and prevent degradation.