5-Amino-1-cyclopropyl-7-[(3R,5S)-3,5-dimethyl-1-piperazinyl]-6,8-difluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid

Basic Information

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CAS Number

110871-86-8

Molecular Formula

C19H22F2N4O3

Molecular Weight

392.41 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

Basic Physical Properties

Melting Point

264-269°C

Boiling Point

575.9°C at 760 mmHg

Water Solubility

Soluble in DMSO at 9mg/ml. Sparingly soluble in water

Flash Point

>110°(230°F)

SMILES

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CC1NC(C)CN(C1)c1c(F)c(N)c2c(c1F)n(cc(c2=O)C(=O)O)C1CC1

InChI

InChI=1S/C19H22F2N4O3/c1-8-5-24(6-9(2)23-8)17-13(20)15(22)12-16(14(17)21)25(10-3-4-10)7-11(18(12)26)19(27)28/h7-10,23H,3-6,22H2,1-2H3,(H,27,28)/t8-,9+

InChIKey

DZZWHBIBMUVIIW-DTORHVGOSA-N

LogP

2.0816

pKa

pKa1 6.25, pKa2 9.30(at 25℃)

Topological Polar Surface Area

100.59 Å²

Hydrogen Bond Donor/Acceptor

4 / 7

Complexity

691

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

Sparfloxacin
5-AMINO-1-CYCLOHEXYL-7-(CIS-3,5-DIMETHYLPIPERAZINO)-6,8-DIFLUORO-1,4-DIHYDRO-4-OXO-3-QUINOLINECARBOXYLIC ACID
at4140
ci978
Clorsulon, Vetranal
3-Quinolinecarboxylic acid, 5-amino-1-cyclopropyl-7-(3,5-dimethyl-1-piperazinyl)-6,8-difluoro-1,4-dihydro-4-oxo-, cis-
3-Quinolinecarboxylic acid, 5-amino-1-cyclopropyl-7-[(3R,5S)-3,5-dimethyl-1-piperazinyl]-6,8-difluoro-1,4-dihydro-4-oxo-, rel- (9CI)
3-QUINOLINECARBOXYLIC ACID, 5-AMINO-1-
5-amino-1-cyclopropyl-7-(3,5-dimethyl-1-piperazinyl)-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid
5-amino-1-cyclopropyl-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
cis-5-amino-1-cyclopropyl-7-(3,5-dimethyl-1-piperazinyl)-6,8-difluoro-1,4-dihydro-4-oxo-3-quinoline carboxylic acid
MMOL, DELIVERED >
Parox
PD 1315-1
Sparcin
Sparfloxaci
SPARFLOXACIN, [2-14C]- 5-25 MCI(185-925 MBQ)
SULFAMIC ACID
Zagam
Spara
RP-64206
CP 103826
Sparfloxacinum
Sparfloxacine
Esparfloxacino
CI 978
AT 4140
Sparfloxacine [INN-French]
Sparfloxacinum [INN-Latin]
SPFX
Esparfloxacino [INN-Spanish]

MDL Number

MFCD00869619

FAQ

What is 5-Amino-1-cyclopropyl-7-[(3R,5S)-3,5-dimethyl-1-piperazinyl]-6,8-difluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid (CAS: 110871-86-8)?

5-Amino-1-cyclopropyl-7-[(3R,5S)-3,5-dimethyl-1-piperazinyl]-6,8-difluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid (CAS: 110871-86-8) is a complex organic compound containing a quinoline ring, amino group, and piperazine substituents. It is known for its structural diversity and potential applications in medicinal chemistry. The compound exhibits specific chemical properties due to its functional groups, including amino and fluoro, which influence its reactivity and solubility.

What are the main uses of 5-Amino-1-cyclopropyl-7-[(3R,5S)-3,5-dimethyl-1-piperazinyl]-6,8-difluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid (CAS: 110871-86-8)?

This compound is primarily used in pharmaceutical research as a potential drug candidate, particularly in the development of antipsychotic and antihypertensive agents. It also finds application in organic synthesis and as an intermediate in the production of various chemical compounds. Due to its complex structure, it is of interest in drug discovery and molecular design studies.

Is 5-Amino-1-cyclopropyl-7-[(3R,5S)-3,5-dimethyl-1-piperazinyl]-6,8-difluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid (CAS: 110871-86-8) safe?

The safety of 5-Amino-1-cyclopropyl-7-[(3R,5S)-3,5-dimethyl-1-piperazinyl]-6,8-difluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid (CAS: 110871-86-8) depends on its application and exposure level. It is generally considered hazardous due to potential toxicity, and proper protective measures should be taken during handling. Safety standards for this compound are typically guided by its use in research and pharmaceutical settings.

How should 5-Amino-1-cyclopropyl-7-[(3R,5S)-3,5-dimethyl-1-piperazinyl]-6,8-difluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid (CAS: 110871-86-8) be stored?

5-Amino-1-cyclopropyl-7-[(3R,5S)-3,5-dimethyl-1-piperazinyl]-6,8-difluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid (CAS: 110871-86-8) should be stored in a cool, dry, and well-ventilated place, away from light. It is recommended to keep it in a sealed container at a temperature below 25°C to maintain stability. Avoid exposure to moisture and ensure proper labeling for safe handling and storage.