(2S,5R,6R)-6-({[3-(2-Chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Basic Information

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CAS Number

5250-39-5

Molecular Formula

C19H17ClFN3O5S

Molecular Weight

453.88 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

677.3°C at 760 mmHg

Density

1.59

Flash Point

363.4 °C

SMILES

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Cc1onc(c1C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)O)c4c(F)cccc4Cl

InChI

InChI=1S/C19H17ClFN3O5S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28)/t13-,14+,17-/m1/s1

InChIKey

UIOFUWFRIANQPC-JKIFEVAISA-N

LogP

2.6878200000000003

Topological Polar Surface Area

112.74 Å²

Hydrogen Bond Donor/Acceptor

2 / 8

Complexity

758

Synonyms & References

English

flucloxacillin
Flucloxcillin
Floxacillin
Flopen
Floxapen
Flucil
Staphylex
FLUCLOXACILLIN IMPURITY E 6-AMINOPENICILLANIC ACID FLUCLOXACILLIN AMIDE, EP STANDARD
Abboflox
BRL 2039
Culpen
FK 900
Flupen
Penplus
(2S,5R,6R)-6-[[3-(2-Chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

MDL Number

MFCD00864886

FAQ

What regulatory guidelines apply to (2S,5R,6R)-6-({[3-(2-Chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (CAS: 5250-39-5)?

Regulatory guidelines for this compound include the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations for European Union markets, and FDA/EPA requirements for pharmaceutical and environmental safety. Specific handling and disposal guidelines should comply with local and national regulations.

Are there alternatives to (2S,5R,6R)-6-({[3-(2-Chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (CAS: 5250-39-5) in synthesis?

There are several alternatives and analogs that can be used in synthesis, such as similar oxazoles or other nitrogen-containing heterocycles. Common alternatives include isomers or reagents with similar functional groups, which can reduce the risk of certain hazards and simplify the synthesis process.

What is the market or research trend for (2S,5R,6R)-6-({[3-(2-Chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (CAS: 5250-39-5)?

The market trend for this compound shows increasing demand in pharmaceutical and research applications due to its unique chemical structure. Research is focusing on its potential use as a drug candidate for various diseases, and price trends indicate stability with a growing demand in the pharmaceutical industry.

How should waste containing (2S,5R,6R)-6-({[3-(2-Chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (CAS: 5250-39-5) be handled?

Waste containing this compound should be collected in a sealed, labeled container and disposed of through a professional waste disposal service. Incineration or other methods under environmental protection precautions are recommended, ensuring compliance with local and national regulations to minimize environmental impact.