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S-FEXOFENADINE

CAS No.:
139965-11-0
Catalog Number:
AG009E1M
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG009E1M
Chemical Name:
S-FEXOFENADINE
CAS Number:
139965-11-0
MDL Number:
MFCD09840619
IUPAC Name:
2-[4-[(1S)-1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid
InChI:
InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36)/t29-/m0/s1
InChI Key:
RWTNPBWLLIMQHL-LJAQVGFWSA-N
Properties
Complexity:
678  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
501.288g/mol
Formal Charge:
0
Heavy Atom Count:
37  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
501.667g/mol
Monoisotopic Mass:
501.288g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
81A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Literature
Title Journal
Prediction of genotoxicity of chemical compounds by statistical learning methods. Chemical research in toxicology 20050601
Properties