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137642-54-7

137642-54-7 | Methanone, [1-[(1-methyl-2-piperidinyl)methyl]-1H-indol-3-yl]-1-naphthalenyl-

CAS No: 137642-54-7 Catalog No: AG0013NN MDL No:MFCD00947094

Product Description

Catalog Number:
AG0013NN
Chemical Name:
Methanone, [1-[(1-methyl-2-piperidinyl)methyl]-1H-indol-3-yl]-1-naphthalenyl-
CAS Number:
137642-54-7
Molecular Formula:
C26H26N2O
Molecular Weight:
382.4974
MDL Number:
MFCD00947094
IUPAC Name:
[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-naphthalen-1-ylmethanone
InChI:
InChI=1S/C26H26N2O/c1-27-16-7-6-11-20(27)17-28-18-24(22-13-4-5-15-25(22)28)26(29)23-14-8-10-19-9-2-3-12-21(19)23/h2-5,8-10,12-15,18,20H,6-7,11,16-17H2,1H3
InChI Key:
URKVBEKZCMUTQC-UHFFFAOYSA-N
SMILES:
CN1CCCCC1Cn1cc(c2c1cccc2)C(=O)c1cccc2c1cccc2

Properties

Complexity:
577  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.205g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
382.507g/mol
Monoisotopic Mass:
382.205g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
25.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5  

Literature

Title Journal
AM2389, a high-affinity, in vivo potent CB1-receptor-selective cannabinergic ligand as evidenced by drug discrimination in rats and hypothermia testing in mice. Psychopharmacology 20120301
Central mediation and differential blockade by cannabinergics of the discriminative stimulus effects of the cannabinoid CB1 receptor antagonist rimonabant in rats. Psychopharmacology 20110801
Potent cannabinergic indole analogues as radioiodinatable brain imaging agents for the CB1 cannabinoid receptor. Journal of medicinal chemistry 20051006
Synthesis and structure-activity relationship of a novel series of aminoalkylindoles with potential for imaging the neuronal cannabinoid receptor by positron emission tomography. Journal of medicinal chemistry 20050908

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