(3S)-10-(1-Aminocyclopropyl)-9-fluoro-3-methyl-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid methanesulfonate (1:1)

Basic Information

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CAS Number

163680-77-1

Molecular Formula

C17H19FN2O7S

Molecular Weight

414.41 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

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

Physical State

Powder

Melting Point

259°C

Boiling Point

531.5°C at 760 mmHg

Flash Point

275.2°C

Vapor Pressure

No data available

Specific Rotation

-61° - -64° (c=1, 1mol/L NaOH)

SMILES

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CC1COC2=C3N1C=C(C(=O)C3=CC(=C2C4(CC4)N)F)C(=O)O.CS(=O)(=O)O

InChI

InChI=1S/C16H15FN2O4.CH4O3S/c1-7-6-23-14-11(16(18)2-3-16)10(17)4-8-12(14)19(7)5-9(13(8)20)15(21)22;1-5(2,3)4/h4-5,7H,2-3,6,18H2,1H3,(H,21,22);1H3,(H,2,3,4)/t7-;/m0./s1

InChIKey

UDHGFPATQWQARM-FJXQXJEOSA-N

LogP

1.2440000000000004

Topological Polar Surface Area

148.92 Å²

Hydrogen Bond Donor/Acceptor

4 / 9

Complexity

695

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

T-3762
AMY18115
SCHEMBL4442183
(-)-(3S)-10-(1-AMINOCYCLOPROPYL)-9-FLUORO-2,3-DIHYDRO-3-METHYL-7-OXO-7H-PYRIDO(1,2,3-DE)-1,4-BENZOXAZINE-6-CARBOXYLIC ACID METHANESULFONATE
Pazufloxacin mesilate
(2S)-6-(1-aminocyclopropyl)-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.0,5,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid; methanesulfonic acid
PAZUFLOXACIN MESILATE [WHO-DD]
AKOS015895384
Pazufloxacin (mesylate)
HMS3264I18
P1962
PazufloxacinMesylate
Pazufloxaxin methanesulfonate
PAZUFLOXACIN METHANESULFONATE [MI]
2XI226J1HS
Pasil
(2S)-6-(1-aminocyclopropyl)-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.0^{5,13}]trideca-5,7,9(13),11-tetraene-11-carboxylic acid; methanesulfonic acid
s3621
Pazucross
NSC-759831
7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid, 10-(1-aminocyclopropyl)-9-fluoro-2,3-dihydro-3-methyl-7-oxo-, (3S)-, methanesulfonate (1:1)
Pazufloxacin mesilate (JP17)
Q-101928
Pazufloxacin mesylate 100 microg/mL in Acetonitrile
(2S)-6-(1-aminocyclopropyl)-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid;methanesulfonic acid
Pazufloxacin mesilate, VETRANAL(TM), analytical standard
Pazufloxacin mesylate
7H-Pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid, 10-(1-aminocyclopropyl)-9-fluoro-2,3-dihydro-3-methyl-7-oxo-, (S)-, monomethanesulfonate
Pasil (TN)
Q27255767
HY-B0724A

MDL Number

MFCD00913262

FAQ

What is (3S)-10-(1-Aminocyclopropyl)-9-fluoro-3-methyl-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid methanesulfonate (1:1) (CAS: 163680-77-1)?

This compound is a complex organic molecule with the CAS number 163680-77-1. It contains a quinoline ring system fused with an oxazino ring, along with functional groups such as an amino cyclopropyl moiety, a fluoro group, and a methanesulfonate ester. Its molecular structure makes it a potential candidate for pharmaceutical applications, particularly in drug development targeting neurological disorders.

What are the main uses of (3S)-10-(1-Aminocyclopropyl)-9-fluoro-3-methyl-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid methanesulfonate (1:1) (CAS: 163680-77-1)?

This compound is primarily used in pharmaceutical research for the development of drugs related to neurological conditions. It may also find applications in medicinal chemistry as a lead compound for further modification and optimization. Its unique chemical structure suggests potential utility in targeting specific biological pathways involved in disease states.

Is (3S)-10-(1-Aminocyclopropyl)-9-fluoro-3-methyl-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid methanesulfonate (1:1) (CAS: 163680-77-1) safe?

The safety of this compound is primarily determined by its intended use and handling procedures. As a research compound, it should be treated with caution, following standard laboratory safety protocols. Precautions include wearing appropriate personal protective equipment (PPE) and working in a well-ventilated area. Specific safety data may require consultation of the Safety Data Sheet (SDS).

How should (3S)-10-(1-Aminocyclopropyl)-9-fluoro-3-methyl-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid methanesulfonate (1:1) (CAS: 163680-77-1) be stored?

This compound should be stored in a cool, dry, and dark place, ideally at 2-8°C, to maintain its stability. It is recommended to keep it in a sealed container to prevent moisture and contamination. Avoid exposure to direct sunlight and ensure proper ventilation to maintain optimal storage conditions.