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Homo Sildenafil

CAS No.:
642928-07-2
Catalog Number:
AG00EDLI
Molecular Formula:
C23H32N6O4S
Molecular Weight:
488.6030
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Product Description
Catalog Number:
AG00EDLI
Chemical Name:
Homo Sildenafil
CAS Number:
642928-07-2
Molecular Formula:
C23H32N6O4S
Molecular Weight:
488.6030
MDL Number:
MFCD09752148
IUPAC Name:
5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
InChI:
InChI=1S/C23H32N6O4S/c1-5-8-18-20-21(27(4)26-18)23(30)25-22(24-20)17-15-16(9-10-19(17)33-7-3)34(31,32)29-13-11-28(6-2)12-14-29/h9-10,15H,5-8,11-14H2,1-4H3,(H,24,25,30)
InChI Key:
MJEXYQIZUOHDGY-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1c1[nH]c(=O)c2c(n1)c(CCC)nn2C)S(=O)(=O)N1CCN(CC1)CC
UNII:
0Z3JH0S0QK
Properties
Complexity:
854  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
488.221g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
488.607g/mol
Monoisotopic Mass:
488.221g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
Vardenafil: structural basis for higher potency over sildenafil in inhibiting cGMP-specific phosphodiesterase-5 (PDE5). Neurochemistry international 20041101
Properties