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Pseudovardenafil

CAT: 0804-HY-W588234-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W588234-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Pseudovardenafil is a new Vardenafil analog illegally added to dietary supplements[1].
CAS Number
224788-34-5
Product Name Alternative
Piperidenafil
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Drug Derivative
Related Pathways
Others
Field of Research
Others
Smiles
O=C1N=C(C2=CC(S(=O)(N3CCCCC3)=O)=CC=C2OCC)NN4C1=C(C)N=C4CCC
Molecular Formula
C22H29N5O4S
Molecular Weight
459.56
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Park HJ, et al. Structure determination of new analogues of vardenafil and sildenafil in dietary supplements. Food Addit Contam. 2007 Feb;24 (2) :122-9.
Shipping Conditions
Room temperature
Scientific Category
Reference compound2
Clinical Information
No Development Reported

Chemical Information

Pseudovardenafil

structure in first source

CAS Number224788-34-5
PubChem CID135565220
IUPAC Name2-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
Molecular FormulaC22H29N5O4S
Molecular Weight459.6
XLogP3.1
Topological Polar Surface Area114
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count32
Formal Charge0
Complexity808
SMILES
CCCC1=NC(=C2N1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)OCC)C
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)
InChIKey
QAYHPAMSDMZXJB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pseudovardenafil
CAS: 224788-34-5
CID: 135565220
Formula: C22H29N5O4S
MW: 459.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight459.6
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass459.19402560
Monoisotopic Mass459.19402560
Topological Polar Surface Area114 Ų
Heavy Atom Count32
Formal Charge0
Complexity808
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TYD-03249-01Pseudovardenafil

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