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1-Cyclopropyl-8-(difluoromethoxy)-7-[(1R)-1-methyl-2,3-dihydro-1H-isoindol-5-yl]-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid methanesulfonate hydrate (1:1:1) | CAS No. 223652-90-2

1-Cyclopropyl-8-(difluoromethoxy)-7-[(1R)-1-methyl-2,3-dihydro-1H-isoindol-5-yl]-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid methanesulfonate hydrate (1:1:1)

Basic Information

Chemical_Structure_Of
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CAS Number

223652-90-2

Molecular Formula

C24H26F2N2O8S

Molecular Weight

540.54 g/mol

AD

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids
Basic Chemical Raw Materials Organic Chemicals Ethers
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

Boiling Point

581.5 °C at 760 mmHg

Flash Point

581.5 °C at 760 mmHg

SMILES

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CC1C2=C(CN1)C=C(C=C2)C3=C(C4=C(C=C3)C(=O)C(=CN4C5CC5)C(=O)O)OC(F)F.CS(=O)(=O)O.O

InChI

InChI=1S/C23H20F2N2O4.CH4O3S.H2O/c1-11-15-5-2-12(8-13(15)9-26-11)16-6-7-17-19(21(16)31-23(24)25)27(14-3-4-14)10-18(20(17)28)22(29)30;1-5(2,3)4;/h2,5-8,10-11,14,23,26H,3-4,9H2,1H3,(H,29,30);1H3,(H,2,3,4);1H2/t11-;;/m1../s1

InChIKey

IGTHEWGRXUAFKF-NVJADKKVSA-N

LogP

3.1465000000000014

Topological Polar Surface Area

166.43 Ų

Hydrogen Bond Donor/Acceptor

5 / 10

Complexity

863

Synonyms & References

English

  • CHEMBL3183451
  • Garenoxacin mesylate monohydrate, >=98% (HPLC)
  • 1-CYCLOPROPYL-8-(DIFLUOROMETHOXY)-7-((1R)-1-METHYL-2,3-DIHYDRO-1H-ISOINDOL-5-YL)-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID METHANESULPHONATE HYDRATE
  • BCP08676
  • GARENOXACIN MESILATE MONOHYDRATE [WHO-DD]
  • Garenoxacin methanesulfonate
  • NCGC00181770-02
  • Inforce
  • Garenoxacin mesilate
  • Garenoxacin mesilate hydrate
  • Tox21_112995
  • DTXSID4048644
  • Garenoxacinmesylatehydrate
  • Garenoxacin mesylate
  • 3-Quinolinecarboxylic acid, 1-cyclopropyl-8-(difluoromethoxy)-7-((1R)-2,3-dihydro-1-methyl-1H-isoindol-5-yl)-1,4-dihydro-4-oxo-, monomethanesulfonate, monohydrate
  • Garenoxacin mesylate anhydrous
  • GARENOXACIN METHANESULFONATE MONOHYDRATE [MI]
  • Garenoxacin (Mesylate hydrate)
  • SCHEMBL2898521
  • 3-QUINOLINECARBOXYLIC ACID, 1-CYCLOPROPYL-8-(DIFLUOROMETHOXY)-7-((1R)-2,3-DIHYDRO-1-METHYL-1H-ISOINDOL-5-YL)-1,4-DIHYDRO-4-OXO-, METHANESULFONATE, HYDRATE (1:1:1)
  • 1-CYCLOPROPYL-8-(DIFLUOROMETHOXY)-7-((1R)-1-METHYL-2,3-DIHYDRO-1H-5-ISOINDOLYL)-4-OXO-1,4-DIHYDRO-3-QUINOLINECARBOXYLIC ACID MESYLATE MONOHYDRATE
  • BMS-284756
  • 1-Cyclopropyl-8-(difluoromethoxy)-7-((1R)-1-methyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid monomethanesulfonate monohydrate
  • UNII-OXI6EF55FR
  • Geninax
  • 223652-90-2
  • Tox21_112995_1
  • MFCD12031996
  • NCGC00181770-01
  • 1-cyclopropyl-8-(difluoromethoxy)-7-[(1R)-1-methyl-2, 3-dihydro-1H-isoindol-5-yl]-4-oxoquinoline-3-carboxylic acid;methanesulfonic acid;hydrate
  • Garenoxacin mesilate hydrate (JAN)

MDL Number

MFCD12031996

FAQ

What regulatory guidelines apply to 1-Cyclopropyl-8-(difluoromethoxy)-7-[(1R)-1-methyl-2,3-dihydro-1H-isoindol-5-yl]-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid methanesulfonate hydrate (CAS: 223652-90-2)?
This compound requires adherence to several regulatory guidelines. Under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), it may be classified as a hazardous substance. In Europe, it must comply with REACH regulations for registration, evaluation, authorization, and restriction of chemicals. For FDA and EPA requirements, specific toxicity, chemical stability, and environmental impact studies must be conducted. Manufacturers and importers are also required to provide Material Safety Data Sheets (MSDS) and ensure proper labeling as per local and international standards.

Are there alternatives to 1-Cyclopropyl-8-(difluoromethoxy)-7-[(1R)-1-methyl-2,3-dihydro-1H-isoindol-5-yl]-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid methanesulfonate hydrate (CAS: 223652-90-2) in synthesis?
There are alternative compounds that can be used as substitutes in synthesis. For example, analogs such as 1-Cyclopropyl-8-methoxy-7-[(1R)-1-methyl-2,3-dihydro-1H-isoindol-5-yl]-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid methanesulfonate hydrate can be considered. Other common alternative reagents might include difluoromethanol or other similar dihydroisoquinoline derivatives. These alternatives can offer similar functionalities with varying degrees of efficacy and cost.

What is the market or research trend for 1-Cyclopropyl-8-(difluoromethoxy)-7-[(1R)-1-methyl-2,3-dihydro-1H-isoindol-5-yl]-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid methanesulfonate hydrate (CAS: 223652-90-2)?
The market and research for this compound are growing, driven by its potential applications in medicinal chemistry and drug development. There is a focus on understanding its pharmacological properties and exploring its use as a lead compound in the treatment of various diseases, particularly those related to inflammation and neurodegenerative disorders. Recent research trends indicate an increasing interest in its biosynthetic pathways and synthetic methods for enhanced production and purity.

How should waste containing 1-Cyclopropyl-8-(difluoromethoxy)-7-[(1R)-1-methyl-2,3-dihydro-1H-isoindol-5-yl]-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid methanesulfonate hydrate (CAS: 223652-90-2) be handled?
Waste containing this compound should be managed carefully to ensure safety and compliance with environmental regulations. Waste collection should be conducted in sealed containers to prevent spillage and contamination. For incineration, use specialized facilities designed for hazardous waste disposal. For professional waste disposal, consult with authorized waste management companies. Always follow local and international environmental protection guidelines to minimize the environmental impact and ensure worker safety during disposal operations.

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Supplier Information

1-Cyclopropyl-8-(difluoromethoxy)-7-[(1R)-1-methyl-2,3-dihydro-1H-isoindol-5-yl]-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid methanesulfonate hydrate (1:1:1) — RuiLaiBaoYiYaoKeJi ( ShangHai ) Co Ltd

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1-Cyclopropyl-8-(difluoromethoxy)-7-[(1R)-1-methyl-2,3-dihydro-1H-isoindol-5-yl]-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid methanesulfonate hydrate (1:1:1) — MedChemExpress LLC

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1-Cyclopropyl-8-(difluoromethoxy)-7-[(1R)-1-methyl-2,3-dihydro-1H-isoindol-5-yl]-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid methanesulfonate hydrate (1:1:1) — ShangHaiJiZhiShengHua Technology Co Ltd

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1-Cyclopropyl-8-(difluoromethoxy)-7-[(1R)-1-methyl-2,3-dihydro-1H-isoindol-5-yl]-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid methanesulfonate hydrate (1:1:1) — ShangHaiChuangSai Technology Co Ltd

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1-Cyclopropyl-8-(difluoromethoxy)-7-[(1R)-1-methyl-2,3-dihydro-1H-isoindol-5-yl]-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid methanesulfonate hydrate (1:1:1) — ShenZhenAiTaHuaXue Co Ltd

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Hubei Shixing Chemical Co., Ltd.

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ShenZhenShiRuiJiTe Biotechnology Co Ltd

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1-Cyclopropyl-8-(difluoromethoxy)-7-[(1R)-1-methyl-2,3-dihydro-1H-isoindol-5-yl]-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid methanesulfonate hydrate (1:1:1) — Shanghai Jixiang Biotechnology Co., Ltd.

Shanghai Jixiang Biotechnology Co., Ltd.

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1-Cyclopropyl-8-(difluoromethoxy)-7-[(1R)-1-methyl-2,3-dihydro-1H-isoindol-5-yl]-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid methanesulfonate hydrate (1:1:1) — Shanghai Yuyeh Biotechnology Co., Ltd.

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