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Nitrodenafil

CAT: 0013-GTR19208611-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208611-01Size:25 mg
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Description
Nitrodenafil is a structural analog of Sildenafil and functions as a phosphodiesterase (PDE) inhibitor. This small molecule is utilized in biochemical research for studying PDE5 inhibition mechanisms in both in vitro enzymatic assays and in vivo pharmacological models.
CAS Number
147676-99-1
Smiles
C (CC) C=1C2=C (C (=O) N=C (N2) C3=C (OCC) C=CC (N (=O) =O) =C3) N (C) N1
Molecular Formula
C17H19N5O4
Molecular Weight
357.36
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Nitrodenafil
CAS Number147676-99-1
PubChem CID135566056
IUPAC Name5-(2-ethoxy-5-nitrophenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
Molecular FormulaC17H19N5O4
Molecular Weight357.4
XLogP2.4
Topological Polar Surface Area114
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity578
SMILES
CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)[N+](=O)[O-])OCC)C
InChI
InChI=1S/C17H19N5O4/c1-4-6-12-14-15(21(3)20-12)17(23)19-16(18-14)11-9-10(22(24)25)7-8-13(11)26-5-2/h7-9H,4-6H2,1-3H3,(H,18,19,23)
InChIKey
JMINGHHRIRWKPP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nitrodenafil
CAS: 147676-99-1
CID: 135566056
Formula: C17H19N5O4
MW: 357.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight357.4
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass357.14370410
Monoisotopic Mass357.14370410
Topological Polar Surface Area114 Ų
Heavy Atom Count26
Formal Charge0
Complexity578
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
MBS5814440Nitrodenafil
AR-S01433-01Nitrodenafil-d5

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