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N-Desalkyludenafil

CAT: 0013-GTR19221293-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19221293-01Size:5 mg
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Description
N-Desalkyludenafil is the primary active metabolite of the PDE5 inhibitor Udenafil. It is used in biochemical research to study phosphodiesterase type 5 (PDE5) inhibition and is applied in both in vitro and in vivo experimental models for investigating erectile dysfunction mechanisms.
CAS Number
319491-68-4
Field of Research
Metabolism Research
Smiles
CCCOc1ccc (cc1-c1nc (=O) c2n (C) nc (CCC) c2[nH]1) S (N) (=O) =O
Molecular Formula
C18H23N5O4S
Molecular Weight
405.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-Desalkyludenafil

N-desalkyludenafil is a sulfonamide.

CAS Number319491-68-4
PubChem CID135499879
IUPAC Name3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)-4-propoxybenzenesulfonamide
Molecular FormulaC18H23N5O4S
Molecular Weight405.5
XLogP1.6
Topological Polar Surface Area137
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity707
SMILES
CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N)OCCC)C
InChI
InChI=1S/C18H23N5O4S/c1-4-6-13-15-16(23(3)22-13)18(24)21-17(20-15)12-10-11(28(19,25)26)7-8-14(12)27-9-5-2/h7-8,10H,4-6,9H2,1-3H3,(H2,19,25,26)(H,20,21,24)
InChIKey
WQAFYWMRZOZKJD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Desalkyludenafil
CAS: 319491-68-4
CID: 135499879
Formula: C18H23N5O4S
MW: 405.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight405.5
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass405.14707541
Monoisotopic Mass405.14707541
Topological Polar Surface Area137 Ų
Heavy Atom Count28
Formal Charge0
Complexity707
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

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