Aprepitant-M3 Metabolite

Base Information

• Chemical Name: Aprepitant-M3 Metabolite
• CAS No.: 419574-04-2
• Molecular Formula: C₂₀H₁₆F₇NO₃
• Molecular Weight: 451.341
• UNII: L9KBR6F84D
• DSSTox Substance ID: DTXSID50433021
• Wikidata: Q27282876
• Mol file: 419574-04-2.mol

Synonyms:Aprepitant-M3 Metabolite;419574-04-2;UNII-L9KBR6F84D;L9KBR6F84D;(5s,6r)-6-[(1r)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-5-(4-fluorophenyl)-3-morpholinone;(5S,6R)-6-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-5-(4-fluorophenyl)morpholin-3-one;6-((1R)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-5-(4-fluorophenyl)3-morpholinone, (5S,6R)-;3-Morpholinone, 6-((1R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-5-(4-fluorophenyl)-, (5S,6R)-;Aprepitant-M3;[Aprepitant-M3];SCHEMBL6782215;APREPITANT METABOLITE M-1;DTXSID50433021;UISOBKKSNVFVOF-KTTLUUMZSA-N;AKOS030243243;Q27282876;(5S,6R)-6-((1R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-5-(4-fluorophenyl)3-morpholinone;(5S,6R)-6-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-5-(4-fluorophenyl)-3-morpholinone[Aprepita

Chemical Property of Aprepitant-M3 Metabolite

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.512
• Boiling Point: 459.09°C at 760 mmHg
• Flash Point: 231.449°C
• PSA: 47.56000
• Density: 1.433g/cm³
• LogP: 5.48350
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 4
• Exact Mass: 451.10184051
• Heavy Atom Count: 31
• Complexity: 597

Purity/Quality:

99% ^*data from raw suppliers

(5S,6R)-6-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-5-(4-fluorophenyl)-3-morpholinone[Aprepitant-M3] ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC2C(NC(=O)CO2)C3=CC=C(C=C3)F
• Isomeric SMILES: C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](NC(=O)CO2)C3=CC=C(C=C3)F
• Uses: Aprepitant-M3 is an active metabolite of Aprepitant. An active metabolite of Aprepitant

Technology Process of Aprepitant-M3 Metabolite

There total 1 articles about Aprepitant-M3 Metabolite which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ (5S,6R)-6-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-5-(4-fluorophenyl)-3-morpholinone (419574-04-2,419574-33-7)

Guidance literature:

Refernces