Ethyl (3R,4R,5S)-4-acetamido-5-amino-3-(3-pentanyloxy)-1-cyclohexene-1-carboxylate | CAS No. 196618-13-0

Ethyl (3R,4R,5S)-4-acetamido-5-amino-3-(3-pentanyloxy)-1-cyclohexene-1-carboxylate

Basic Information

CAS Number

196618-13-0

Molecular Formula

C16H28N2O4

Molecular Weight

312.41 g/mol

AD

Basic Physical Properties

CCC(CC)OC1C=C(CC(C1NC(=O)C)N)C(=O)OCC

InChI

InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1

InChIKey

VSZGPKBBMSAYNT-RRFJBIMHSA-N

LogP

1.2853999999999997

pKa

7.7 (25°); 6.6 (70°)

Topological Polar Surface Area

90.64999999999999 Ų

Hydrogen Bond Donor/Acceptor

3 / 6

Complexity

418

Synonyms & References

English

  • 196618-13-0
  • SCHEMBL32035
  • OSELTAMIVIR [WHO-DD]
  • DB00198
  • HY-13317
  • Ethyl (5S,3R,4R)-4-(acetylamino)-5-amino-3-(ethylpropoxy)cyclohex-1-enecarboxylate
  • SR-05000001499
  • oseltamivirum
  • UNII-20O93L6F9H
  • OSELTAMIVIR [MI]
  • 1-Cyclohexene-1-carboxylic acid, 4-(acetylamino)-5-amino-3-(1-ethylpropoxy)-, ethyl ester, (3R-(3alpha,4beta,5alpha))-
  • (3R,4R,5S)-Ethyl 4-acetamido-5-amino-3-(pentan-3-yloxy)cyclohex-1-enecarboxylate
  • Tamvir
  • ethyl (3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate
  • EX-A3415
  • Ro-640796
  • Oseltamivir [INN:BAN]
  • NCGC00095191-16
  • NCGC00178698-01
  • 182367-47-1
  • (3R,4R,5S)-4-acetylamino-5-amino-3-(1-ethyl-propoxy)-cyclohex-1-enecarboxylic acid ethyl ester
  • D08306
  • Q211509
  • Ro-64-0796
  • (-)-oseltamivir
  • (3r,4r,5s)-4-acetylamino-5-amino-3(1-ethylpropoxy) -1-cyclohexene-1-carboxylic acid ethyl ester
  • AKOS015960501
  • CHEMBL1229
  • rel-Ethyl (3R,4R,5S)-4-acetamido-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate
  • GS-4071 ETHYL ESTER
  • 1-Cyclohexene-1-carboxylic acid, 4-(acetylamino)-5-amino-3-(1-ethylpropoxy)-, ethyl ester, (3R,4R,5S)-

MDL Number

MFCD00953939

FAQ

What regulatory guidelines apply to Ethyl (3R,4R,5S)-4-acetamido-5-amino-3-(3-pentanyloxy)-1-cyclohexene-1-carboxylate (CAS: 196618-13-0)?

Ethyl (3R,4R,5S)-4-acetamido-5-amino-3-(3-pentanyloxy)-1-cyclohexene-1-carboxylate (CAS: 196618-13-0) is subject to the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) and is categorized under GHS Category 2 for skin corrosion/irritation and Category 3 for serious eye damage/eye irritation. It is also subject to the European Union's REACH regulations, which require manufacturers and importers to register substances above a one-tonne threshold. FDA and EPA guidelines may apply for specific applications, especially in pharmaceuticals or environmental releases.

Are there alternatives to Ethyl (3R,4R,5S)-4-acetamido-5-amino-3-(3-pentanyloxy)-1-cyclohexene-1-carboxylate (CAS: 196618-13-0) in synthesis?

There are several alternatives to Ethyl (3R,4R,5S)-4-acetamido-5-amino-3-(3-pentanyloxy)-1-cyclohexene-1-carboxylate (CAS: 196618-13-0) in synthesis, such as other cyclic carboxylates with similar functional groups. Common alternatives include 3-pentanol derivatives, acetamides, and amino alcohol compounds. These alternatives can offer similar reactivity and functional group transformations, but may vary in cost, availability, and environmental impact.

What is the market or research trend for Ethyl (3R,4R,5S)-4-acetamido-5-amino-3-(3-pentanyloxy)-1-cyclohexene-1-carboxylate (CAS: 196618-13-0)?

The market for Ethyl (3R,4R,5S)-4-acetamido-5-amino-3-(3-pentanyloxy)-1-cyclohexene-1-carboxylate (CAS: 196618-13-0) is currently stable, with a focus on its use in pharmaceuticals and biotechnology. Recent research trends include its application in drug discovery and development for treating various diseases. The market is expected to grow due to increasing demand in the pharmaceutical industry and advancements in synthetic chemistry.

How should waste containing Ethyl (3R,4R,5S)-4-acetamido-5-amino-3-(3-pentanyloxy)-1-cyclohexene-1-carboxylate (CAS: 196618-13-0) be handled?

Waste containing Ethyl (3R,4R,5S)-4-acetamido-5-amino-3-(3-pentanyloxy)-1-cyclohexene-1-carboxylate (CAS: 196618-13-0) should be collected and disposed of according to local and national regulations. This may include incineration, chemical treatment, or landfilling, depending on the local waste management practices. It is essential to ensure proper environmental protection measures are in place, such as minimizing exposure to air, water, and soil. Professional waste disposal services are recommended to handle such waste safely and efficiently.

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