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LUSAPERIDONE

CAS No.:
214548-46-6
Catalog Number:
AG00C1JV
Molecular Formula:
C22H21N3O2
Molecular Weight:
359.4210
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Product Description
Catalog Number:
AG00C1JV
Chemical Name:
LUSAPERIDONE
CAS Number:
214548-46-6
Molecular Formula:
C22H21N3O2
Molecular Weight:
359.4210
MDL Number:
MFCD09837832
IUPAC Name:
3-[2-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one
InChI:
InChI=1S/C22H21N3O2/c1-15-16(22(26)25-11-5-4-8-21(25)23-15)9-12-24-13-10-20-18(14-24)17-6-2-3-7-19(17)27-20/h2-8,11H,9-10,12-14H2,1H3
InChI Key:
ZYXHQIPQIKTEDI-UHFFFAOYSA-N
SMILES:
Cc1nc2ccccn2c(=O)c1CCN1CCc2c(C1)c1ccccc1o2
UNII:
5KTD2O86CB
Properties
Complexity:
751  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.163g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
359.429g/mol
Monoisotopic Mass:
359.163g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
49A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Literature
Title Journal
Synthesis and biodistribution of [11C]R107474, a new radiolabeled alpha2-adrenoceptor antagonist. Bioorganic & medicinal chemistry 20060701
New 2-substituted 1,2,3,4-tetrahydrobenzofuro[3,2-c]pyridine having highly active and potent central alpha 2-antagonistic activity as potential antidepressants. Bioorganic & medicinal chemistry letters 20000103
Properties