7-[(7S)-7-Amino-5-azaspiro[2.4]hept-5-yl]-8-chloro-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid hydrate (1:1)

Basic Information

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CAS Number

163253-35-8

Molecular Formula

C19H20ClF2N3O4

Molecular Weight

873.68 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

145-147°C (dec.)

Boiling Point

629.2°C at 760 mmHg

Flash Point

334.3°C

Specific Rotation

589 -199.9°

SMILES

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C1CC12CN(CC2N)C3=C(C=C4C(=C3Cl)N(C=C(C4=O)C(=O)O)C5CC5F)F.O

InChI

InChI=1S/C19H18ClF2N3O3.H2O/c20-14-15-8(17(26)9(18(27)28)5-25(15)12-4-10(12)21)3-11(22)16(14)24-6-13(23)19(7-24)1-2-19;/h3,5,10,12-13H,1-2,4,6-7,23H2,(H,27,28);1H2/t10-,12+,13+;/m0./s1

InChIKey

ANCJYRJLOUSQBW-JJZGMWGRSA-N

LogP

2.9311000000000034

Topological Polar Surface Area

271.62 Å²

Hydrogen Bond Donor/Acceptor

12 / 15

Complexity

761

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

HY-B0395B
7-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-8-chloro-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylic acid;hydrate
UNII-45IP57B62B
AKOS005145900
AM85615
Sitafloxacin (monohydrate)
Q27258838
3-Quinolinecarboxylicacid,7-[(7s)-7-Amino-5-azaspiro[2.4]Hept-5-yl]-8-chloro-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-1,4-dihydro-4- oxo-,hydrate (2:3)
3-QUINOLINECARBOXYLIC ACID, 7-(7-AMINO-5-AZASPIRO(2.4)HEPT-5-YL)-8-CHLORO-6-FLUORO-1-(2-FLUOROCYCLOPROPYL)-1,4-DIHYDRO-4-OXO-, MONOHYDRATE, (1R-(1.ALPHA.(S*),2.ALPHA.))-
CS-0009318
J-524203
SCHEMBL1060786
Sitafloxacin hydrate
Spifloxacin hydrate
3-Quinolinecarboxylic acid, 7-(7-amino-5-azaspiro(2.4)hept-5-yl)-8-chloro-6-fluoro-1-(2-fluorocyclopropyl)-1,4-dihydro-4-oxo-, monohydrate, (1R-(1alpha(S*),2alpha))-
45IP57B62B
3-Quinolinecarboxylicacid,7-[(7S)-7-amino-5-azaspiro[2.4]hept-5-yl]-8-chloro-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-1,4-dihydro-4-oxo-,hydrate(2:3)
3-Quinolinecarboxylic acid, 7-((7S)-7-amino-5-azaspiro(2.4)hept-5-yl)-8-chloro-6-fluoro-1-((1R,2S)-2-fluorocyclopropyl)-1,4-dihydro-4-oxo-, hydrate (1:1)
DU-6859a
CHEMBL3989504
Sitafloxacin
163253-35-8
Sitafloxacin monohydrate
163253-37-0
7-[(7S)-7-Amino-5-azaspiro[2.4]heptan-5-yl]-8-chloro-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-1,4-dihydro-4-oxoquinoline-3-carboxylic acid hydrate (2:3)
Sitafloxacin Hydrate
DU6859a hydrate
Sitafloxacin Sesquih
Sitafloxacin Sesquihydrate
SITAFLOXACIN SESQUIHYDRATE,OFF-WHITE SOLID
DU 6859A,DU 6859,DU-6859

MDL Number

MFCD00903720

FAQ

What is 7-[(7S)-7-Amino-5-azaspiro[2.4]hept-5-yl]-8-chloro-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid hydrate (CAS: 163253-35-8)?

This compound is a hydrate of 7-[(7S)-7-Amino-5-azaspiro[2.4]hept-5-yl]-8-chloro-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid. It is a complex organic molecule with potential applications in pharmaceuticals and research due to its unique chemical structure.

What are the main uses of 7-[(7S)-7-Amino-5-azaspiro[2.4]hept-5-yl]-8-chloro-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid hydrate (CAS: 163253-35-8)?

This compound is primarily used in pharmaceutical research and development for its potential therapeutic applications. It may also be utilized in analytical chemistry for specific assays and in other research contexts.

Is 7-[(7S)-7-Amino-5-azaspiro[2.4]hept-5-yl]-8-chloro-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid hydrate (CAS: 163253-35-8) safe?

This compound may pose health risks if not handled properly. It is important to follow all safety precautions, including proper handling, protective clothing, and ensuring adequate ventilation. It is classified as a research chemical and should be used under controlled conditions.

How should 7-[(7S)-7-Amino-5-azaspiro[2.4]hept-5-yl]-8-chloro-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid hydrate (CAS: 163253-35-8) be stored?

Store this compound in a sealed container at room temperature (15-25°C) away from direct sunlight and moisture. Maintain a temperature range of 15-25°C and relative humidity below 50%. Avoid exposure to extreme temperatures and ensure proper ventilation in the storage area.