(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-9-(((2R,3S)-3-Acetamido-2-hydroxy-3-phenylpropanoyl)oxy)-12b-acetoxy-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H | CAS No. 1144034-42-3

(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-9-(((2R,3S)-3-Acetamido-2-hydroxy-3-phenylpropanoyl)oxy)-12b-acetoxy-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H

Basic Information

CAS Number

1144034-42-3

Molecular Formula

C40H47NO13

Molecular Weight

749.81 g/mol

AD

Basic Physical Properties

Boiling Point

911.1±65.0 °C(Predicted)

Density

1.41±0.1 g/cm3(Predicted)

O([C@@]12CO[C@]1([H])C[C@H](O)[C@]1(C([C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@H](C4C=CC=CC=4)NC(=O)C)C[C@@](C3(C)C)(O)[C@@H](OC(C3C=CC=CC=3)=O)[C@]21[H])=O)C)C(=O)C

InChI

1S/C40H47NO13/c1-20-25(52-36(49)31(46)29(41-21(2)42)23-13-9-7-10-14-23)18-40(50)34(53-35(48)24-15-11-8-12-16-24)32-38(6,33(47)30(45)28(20)37(40,4)5)26(44)17-27-39(32,19-51-27)54-22(3)43/h7-16,25-27,29-32,34,44-46,50H,17-19H2,1-6H3,(H,41,42)/t25-,26-,27+,29-,30+,31+,32-,34-,38+,39-,40+/m0/s1

InChIKey

IQLUCUWQLSTAPF-KWIOUIIFSA-N

LogP

1.8710000000000007

pKa

11.31±0.70(Predicted)

Topological Polar Surface Area

215.21999999999997 Ų

Hydrogen Bond Donor/Acceptor

5 / 14

Synonyms & References

English

  • N-acetyl-10-deacetyl-N-debenzoylpaclitaxel
  • Benzenepropanoic acid, β-(acetylamino)-α-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (αR,βS)-
  • DocetaxelImpurity65
  • N-acetyldocetaxel

FAQ

What regulatory guidelines apply to (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-9-(((2R,3S)-3-Acetamido-2-hydroxy-3-phenylpropanoyl)oxy)-12b-acetoxy-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H (CAS: 1144034-42-3)?

The compound is subject to various regulatory guidelines, including GHS classification for hazardous chemicals, REACH regulations in the EU, and FDA/EPA requirements for handling and disposal. It is important to consult the most recent versions of these regulations for specific requirements related to this compound.

Are there alternatives to (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-9-(((2R,3S)-3-Acetamido-2-hydroxy-3-phenylpropanoyl)oxy)-12b-acetoxy-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H in synthesis?

There are alternative reagents that can be used in synthesis, such as isomers or analogs like (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-9-(((2S,3R)-3-Acetamido-2-hydroxy-3-phenylpropanoyl)oxy)-12b-acetoxy-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H. These alternatives may offer different reactivity profiles and can be selected based on the specific needs of the synthesis.

What is the market or research trend for (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-9-(((2R,3S)-3-Acetamido-2-hydroxy-3-phenylpropanoyl)oxy)-12b-acetoxy-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H (CAS: 1144034-42-3)?

The market and research trends for this compound indicate increasing interest in its applications in pharmaceuticals and biotechnology. Recent studies focus on its potential in drug development and as a bioactive molecule. However, due to the complexity and uniqueness of the compound, there is a growing need for further research to explore its full potential.

How should waste containing (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-9-(((2R,3S)-3-Acetamido-2-hydroxy-3-phenylpropanoyl)oxy)-12b-acetoxy-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H (CAS: 1144034-42-3) be handled?

Waste containing this compound should be collected in closed containers and disposed of through professional waste disposal services. Incineration is an effective method, but proper environmental protection precautions must be taken to ensure compliance with local regulations. It is crucial to follow all safety guidelines and consult the most recent waste management regulations for this specific compound.

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