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Lerisetron

CAS No.:
143257-98-1
Catalog Number:
AG009HVF
Molecular Formula:
C18H20N4
Molecular Weight:
292.3782
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Product Description
Catalog Number:
AG009HVF
Chemical Name:
Lerisetron
CAS Number:
143257-98-1
Molecular Formula:
C18H20N4
Molecular Weight:
292.3782
MDL Number:
MFCD00865529
IUPAC Name:
1-benzyl-2-piperazin-1-ylbenzimidazole
InChI:
InChI=1S/C18H20N4/c1-2-6-15(7-3-1)14-22-17-9-5-4-8-16(17)20-18(22)21-12-10-19-11-13-21/h1-9,19H,10-14H2
InChI Key:
PWWDCRQZITYKDV-UHFFFAOYSA-N
SMILES:
N1CCN(CC1)c1nc2c(n1Cc1ccccc1)cccc2
UNII:
Q36R82SXRG
Properties
Complexity:
349  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.169g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
292.386g/mol
Monoisotopic Mass:
292.169g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Literature
Title Journal
Pharmacokinetic-pharmacodynamic modeling of the hydroxy lerisetron metabolite L6-OH in rats: an integrated parent-metabolite model. Pharmaceutical research 20051101
Subunit rotation models activation of serotonin 5-HT3AB receptors by agonists. Journal of computer-aided molecular design 20041001
Lerisetron. FAES. Current opinion in investigational drugs (London, England : 2000) 20030701
Age-related changes in pharmacokinetics and pharmacodynamics of lerisetron in the rat: a population pharmacokinetic model. Gerontology 20030101
Synthesis and pharmacology of isoquinuclidine derivatives as 5-HT(3) ligands. Bioorganic & medicinal chemistry letters 20020121
Pharmacokinetics and pharmacological effect of lerisetron, a new 5-HT3 antagonist, in rats. Journal of pharmaceutical sciences 20020101
Functional group interactions of a 5-HT3R antagonist. BMC biochemistry 20020101
Identification of critical residues in loop E in the 5-HT3ASR binding site. BMC biochemistry 20020101
Effects of lerisetron, a new 5-HT3 receptor antagonist, on ipecacuanha-induced emesis in healthy volunteers. Arzneimittel-Forschung 20020101
5-HT(3)R binding of lerisetron: an interdisciplinary approach to drug-Receptor interactions. Bioorganic & medicinal chemistry letters 20010820
Altered disposition and effect of lerisetron in rats with elevated alpha 1-acid glycoprotein levels. Pharmaceutical research 20010601
Properties