N-{[(3S)-5-Chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-7-yl]carbonyl}-L-phenylalanine | CAS No. 189152-21-4

N-{[(3S)-5-Chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-7-yl]carbonyl}-L-phenylalanine

Basic Information

CAS Number

189152-21-4

Molecular Formula

C20H18ClNO6

Molecular Weight

403.82 g/mol

AD

Basic Physical Properties

C[C@H]1Cc2c(cc(c(c2C(=O)O1)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)Cl

InChI

InChI=1S/C20H18ClNO6/c1-10-7-12-14(21)9-13(17(23)16(12)20(27)28-10)18(24)22-15(19(25)26)8-11-5-3-2-4-6-11/h2-6,9-10,15,23H,7-8H2,1H3,(H,22,24)(H,25,26)/t10-,15-/m0/s1

InChIKey

RWQKHEORZBHNRI-BONVTDFDSA-N

LogP

2.5727

Topological Polar Surface Area

112.92999999999999 Ų

Hydrogen Bond Donor/Acceptor

3 / 7

Complexity

608

Synonyms & References

English

  • 3-epi-Ochratoxin A
  • 3S14S-Ochratoxin A
  • Ochratoxin A-d5
  • B6675
  • N-[[(3S)-1-Oxo-3beta-methyl-5-chloro-8-hydroxy-3,4-dihydro-1H-2-benzopyran-7-yl]carbonyl]-L-phenylalanine

FAQ

What regulatory guidelines apply to N-{[(3S)-5-Chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-7-yl]carbonyl}-L-phenylalanine (CAS: 189152-21-4)?

N-{[(3S)-5-Chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-7-yl]carbonyl}-L-phenylalanine is subject to the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) guidelines, REACH regulations in the EU, and FDA and EPA requirements in the United States. It is important to ensure compliance with these regulations for proper handling, storage, and disposal.

Are there alternatives to N-{[(3S)-5-Chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-7-yl]carbonyl}-L-phenylalanine (CAS: 189152-21-4) in synthesis?

There are several alternatives to N-{[(3S)-5-Chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-7-yl]carbonyl}-L-phenylalanine in synthesis, including structurally similar compounds like N-{[(3S)-5-Chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-7-yl]carbonyl}-D-phenylalanine and other amino acids with similar functional groups. These alternatives can offer comparable reactivity and properties.

What is the market or research trend for N-{[(3S)-5-Chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-7-yl]carbonyl}-L-phenylalanine (CAS: 189152-21-4)?

The market and research trends for N-{[(3S)-5-Chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-7-yl]carbonyl}-L-phenylalanine indicate a growing interest in its use as a building block in drug discovery and development. There is an increasing focus on its potential applications in the pharmaceutical and biotechnological sectors, as well as in the field of synthetic chemistry.

How should waste containing N-{[(3S)-5-Chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-7-yl]carbonyl}-L-phenylalanine (CAS: 189152-21-4) be handled?

Waste containing N-{[(3S)-5-Chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-7-yl]carbonyl}-L-phenylalanine should be collected in appropriate containers and handled in a controlled manner. It is recommended to perform incineration, professional waste disposal, or other environmentally friendly methods. Ensure that all precautions are taken to minimize environmental impact and comply with local and national regulations.

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