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Pseudo Vardenafil

CAS No.:
224788-34-5
Catalog Number:
AG007OF3
Molecular Formula:
C22H29N5O4S
Molecular Weight:
459.5618
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Product Description
Catalog Number:
AG007OF3
Chemical Name:
Pseudo Vardenafil
CAS Number:
224788-34-5
Molecular Formula:
C22H29N5O4S
Molecular Weight:
459.5618
MDL Number:
MFCD09752153
IUPAC Name:
2-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
InChI:
InChI=1S/C22H29N5O4S/c1-4-9-19-23-15(3)20-22(28)24-21(25-27(19)20)17-14-16(10-11-18(17)31-5-2)32(29,30)26-12-7-6-8-13-26/h10-11,14H,4-9,12-13H2,1-3H3,(H,24,25,28)
InChI Key:
QAYHPAMSDMZXJB-UHFFFAOYSA-N
SMILES:
CCCc1nc(c2n1[nH]c(nc2=O)c1cc(ccc1OCC)S(=O)(=O)N1CCCCC1)C
UNII:
L7EH1H08V8
Properties
Complexity:
808  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
459.194g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
459.565g/mol
Monoisotopic Mass:
459.194g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Literature
Title Journal
Structure determination of new analogues of vardenafil and sildenafil in dietary supplements. Food additives and contaminants 20070201
Properties