Home Nitro Compounds 1576-14-3
1576-14-3,MFCD01365792
Catalog No.:AA00ADMF

1576-14-3 | 4-Nitro Propofol

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250mg
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  • Technical Information
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  • Downstream Synthesis Route
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00ADMF
Chemical Name:
4-Nitro Propofol
CAS Number:
1576-14-3
Molecular Formula:
C12H17NO3
Molecular Weight:
223.2683
MDL Number:
MFCD01365792
SMILES:
CC(c1cc(cc(c1O)C(C)C)[N+](=O)[O-])C
Properties
Computed Properties
 
Complexity:
229  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
3.7  

Downstream Synthesis Route

[1]CurrentPatentAssignee:UNIVERSITYOFDUNDEE-WO2010/67069,2010,A1Locationinpatent:Page/Pagecolumn21

[2]CurrentPatentAssignee:UNIVERSITYOFMANCHESTER-CN112119077,2020,ALocationinpatent:Paragraph0539-0540

[3]Helfenbein;Lartigue;Noirault;Azim;Legailliard;Galmier;Madelmont[JournalofMedicinalChemistry,2002,vol.45,#26,p.5806-5808]

[4]Trapani,Giuseppe;Latrofa,Andrea;Franco,Massimo;Altomare,Cosimo;Sanna,Enrico;Usala,Marcello;Biggio,Giovanni;Liso,Gaetano[JournalofMedicinalChemistry,1998,vol.41,#11,p.1846-1854]

[5]Fussing,IngridM.M.;Pletcher,Derek;Whitby,RichardJ.[JournalofOrganometallicChemistry,1994,vol.470,#1.2,p.109-118]

[6]CurrentPatentAssignee:BAINCAPITALINC-US2688844,1957,A

[1]CurrentPatentAssignee:UNIVERSITYOFDUNDEE-WO2010/67069,2010,A1Locationinpatent:Page/Pagecolumn21-22

[2]CurrentPatentAssignee:UNIVERSITYOFMANCHESTER-CN112119077,2020,ALocationinpatent:Paragraph0539;0541

[3]Vaughan;Finch[JournalofOrganicChemistry,1956,vol.21,p.1201,1202]

[1]Helfenbein;Lartigue;Noirault;Azim;Legailliard;Galmier;Madelmont[JournalofMedicinalChemistry,2002,vol.45,#26,p.5806-5808]

Literature

Title: Propofol analogues. Synthesis, relationships between structure and affinity at GABAA receptor in rat brain, and differential electrophysiological profile at recombinant human GABAA receptors.

Journal: Journal of medicinal chemistry 19980521

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