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Loperamide

CAS No.:
106900-12-3
Catalog Number:
AG008WQN
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG008WQN
Chemical Name:
Loperamide
CAS Number:
106900-12-3
MDL Number:
MFCD00870596
IUPAC Name:
4-[4-(4-chlorophenyl)-4-hydroxy-1-oxidopiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide
InChI:
InChI=1S/C29H33ClN2O3/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32(35)20-17-28(34,18-21-32)23-13-15-26(30)16-14-23/h3-16,34H,17-22H2,1-2H3
InChI Key:
KXVSBTJVTUVNPM-UHFFFAOYSA-N
EC Number:
600-785-5
Properties
Complexity:
668  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
492.218g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
493.044g/mol
Monoisotopic Mass:
492.218g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  
Literature
Title Journal
Identification of an N-methyl-4-phenylpyridinium-like metabolite of the antidiarrheal agent loperamide in human liver microsomes: underlying reason(s) for the lack of neurotoxicity despite the bioactivation event. Drug metabolism and disposition: the biological fate of chemicals 20040901
Properties