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Home Indole and Oxindoles 864445-43-2
864445-43-2,MFCD12911796
Catalog No.:AA008G9F

864445-43-2 | 2-(2-Methoxyphenyl)-1-(1-pentyl-1H-indol-3-yl)ethanone

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  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA008G9F
Chemical Name:
2-(2-Methoxyphenyl)-1-(1-pentyl-1H-indol-3-yl)ethanone
CAS Number:
864445-43-2
Molecular Formula:
C22H25NO2
Molecular Weight:
335.4394
MDL Number:
MFCD12911796
SMILES:
CCCCCn1cc(c2c1cccc2)C(=O)Cc1ccccc1OC
Properties
Computed Properties
 
Complexity:
424  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
8  
XLogP3:
5  

Literature

Title: Development and validation of a liquid chromatography-tandem mass spectrometry method for the identification and quantification of JWH-018, JWH-073, JWH-019, and JWH-250 in human whole blood.

Journal: Journal of analytical toxicology 20110901

Title: Development of CoMFA and CoMSIA models of affinity and selectivity for indole ligands of cannabinoid CB1 and CB2 receptors.

Journal: European journal of medicinal chemistry 20090601

Title: 1-Pentyl-3-phenylacetylindoles, a new class of cannabimimetic indoles.

Journal: Bioorganic & medicinal chemistry letters 20050915

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SDS
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Tags:864445-43-2 Molecular Formula|864445-43-2 MDL|864445-43-2 SMILES|864445-43-2 2-(2-Methoxyphenyl)-1-(1-pentyl-1H-indol-3-yl)ethanone