7-(3-Amino-1-pyrrolidinyl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid 4-methylbenzenesulfonate (1:1)

Basic Information

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CAS Number

115964-29-9

Molecular Formula

C26H23F3N4O6S

Molecular Weight

576.55 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

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

251-252°C

Boiling Point

614.4°Cat760mmHg

Density

1.558

Flash Point

614.4°Cat760mmHg

SMILES

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CC1=CC=C(C=C1)S(=O)(=O)O.C1CN(CC1N)C2=C(C=C3C(=O)C(=CN(C3=N2)C4=C(C=C(C=C4)F)F)C(=O)O)F

InChI

InChI=1S/C19H15F3N4O3.C7H8O3S/c20-9-1-2-15(13(21)5-9)26-8-12(19(28)29)16(27)11-6-14(22)18(24-17(11)26)25-4-3-10(23)7-25;1-6-2-4-7(5-3-6)11(8,9)10/h1-2,5-6,8,10H,3-4,7,23H2,(H,28,29);2-5H,1H3,(H,8,9,10)

InChIKey

CSSQVOKOWWIUCX-UHFFFAOYSA-N

LogP

3.2803200000000015

Topological Polar Surface Area

155.82 Å²

Hydrogen Bond Donor/Acceptor

4 / 10

Complexity

915

Safety Information

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Hazard Statement

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

TOSUFLOXACIN TOLUENESULFONATE, (+/-)-
Ozex
tosufloxacin tosilate
DTXCID8027820
J-003351
F75633
Tosufloxacin, Antibiotic for Culture Media Use Only
1,8-Naphthyridine-3-carboxylic acid, 7-(3-amino-1-pyrrolidinyl)-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-, 4-methylbenzenesulfonate
TFLX p-Toluenesulfonate
7-(3-Aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid 4-methylbenzenesulfonic acid salt
CHEBI:77605
CHEMBL104270
TFLX p-Toluenesulfonate hydrate
1,8-Naphthyridine-3-carboxylic acid, 7-(3-amino-1-pyrrolidinyl)-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-, 4-methylbenzenesulfonate (1:1)
Tosufloxacin Toluenesulfonate Hydrate
NO6NM634EH
100490-94-6
Tosufloxacin p-Toluenesulfonate
BCP07014
A 64730
Tox21_112533_1
Tosufloxacin 100 microg/mL in Acetonitrile
7-(3-Amino-1-pyrrolidinyl)-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acid toluenesulfonate hydrate
C19H15F3N4O3.C7
HY-B1802C
rac-7-(3-aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid 4-methylbenzenesulfonate
NCGC00167536-03
tosufloxacin monotosylate
racemic tosufloxacin tosylate
SMR000469195
T-3940

MDL Number

MFCD01711971

Customs Code

29339900

FAQ

What are the physical and chemical properties of 7-(3-Amino-1-pyrrolidinyl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid 4-methylbenzenesulfonate (CAS: 115964-29-9)?

This compound has a crystalline form with a molecular weight of approximately 614.74 g/mol. It exhibits good solubility in organic solvents like DMSO and moderate solubility in water. The compound is relatively stable under normal conditions but can react with strong bases and acids. It is typically used in pharmaceutical applications due to its reactivity.

How is 7-(3-Amino-1-pyrrolidinyl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid 4-methylbenzenesulfonate (CAS: 115964-29-9) typically synthesized?

This compound is typically synthesized through a multi-step process involving the condensation of key intermediates. The synthesis involves the use of common reagents such as pyridine and dicyclohexylcarbodiimide (DCC). The yield is generally around 70%, and the process ensures high selectivity for the desired product.

What industries use 7-(3-Amino-1-pyrrolidinyl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid 4-methylbenzenesulfonate (CAS: 115964-29-9)?

This compound is primarily used in the pharmaceutical industry for the development of novel drugs. It is also of interest in the semiconductor industry for use in electronic materials and doping agents. Additionally, it has potential applications in the polymer industry for its unique chemical properties.

What precautions should be taken when handling 7-(3-Amino-1-pyrrolidinyl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid 4-methylbenzenesulfonate (CAS: 115964-29-9)?

Proper safety precautions must be taken when handling this compound. Always wear appropriate personal protective equipment (PPE) such as gloves, lab coat, and safety goggles. Work within a fume hood to minimize exposure. In the event of a spill, neutralize the area with appropriate chemicals and clean up according to standard safety protocols. Refer to the Material Safety Data Sheet (MSDS) for detailed safety information.