Home Indole and Oxindoles 335161-21-2
335161-21-2,MFCD18382138
Catalog No.:AA00C6UO

335161-21-2 | (1-(5-hydroxypentyl)-1H-indol-3-yl)(naphthalen-1-yl)Methanone

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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00C6UO
Chemical Name:
(1-(5-hydroxypentyl)-1H-indol-3-yl)(naphthalen-1-yl)Methanone
CAS Number:
335161-21-2
Molecular Formula:
C24H23NO2
Molecular Weight:
357.4449
MDL Number:
MFCD18382138
SMILES:
OCCCCCn1cc(c2c1cccc2)C(=O)c1cccc2c1cccc2
Properties
Computed Properties
 
Complexity:
493  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
7  
XLogP3:
4.9  

Literature

Title: Cytochrome P450-mediated oxidative metabolism of abused synthetic cannabinoids found in K2/Spice: identification of novel cannabinoid receptor ligands.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20121101

Title: Quantitative measurement of JWH-018 and JWH-073 metabolites excreted in human urine.

Journal: Analytical chemistry 20110601

Title: Phase I hydroxylated metabolites of the K2 synthetic cannabinoid JWH-018 retain in vitro and in vivo cannabinoid 1 receptor affinity and activity.

Journal: PloS one 20110101

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SDS
Tags:335161-21-2 Molecular Formula|335161-21-2 MDL|335161-21-2 SMILES|335161-21-2 (1-(5-hydroxypentyl)-1H-indol-3-yl)(naphthalen-1-yl)Methanone