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Yonkenafil

CAT: 0926-EHB51863-03Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-EHB51863-03Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
804518-63-6
Smiles
CCCN1C=C (C2=C1N=C (NC2=O) C3=C (C=CC (=C3) S (=O) (=O) N4CCN (CC4) CC) OCC) C
Molecular Formula
C24H33N5O4S
Molecular Weight
487.6 g/mol
Controlled
No

Chemical Information

Tunodafil

Tunodafil is a small molecule drug. The usage of the INN stem '-afil' in the name indicates that Tunodafil is a inhibitor of phosphodiesterase PDE5 with vasodilator action. Tunodafil is under investigation in clinical trial NCT05976503 (A Study of the Interaction of Tunodafil Hydrochloride Tablets and Alcohol). Tunodafil has a monoisotopic molecular weight of 487.23 Da.

CAS Number804518-63-6
PubChem CID135489224
IUPAC Name2-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]-5-methyl-7-propyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
Molecular FormulaC24H33N5O4S
Molecular Weight487.6
XLogP2.3
Topological Polar Surface Area105
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count34
Formal Charge0
Complexity852
SMILES
CCCN1C=C(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CC)OCC)C
InChI
InChI=1S/C24H33N5O4S/c1-5-10-28-16-17(4)21-23(28)25-22(26-24(21)30)19-15-18(8-9-20(19)33-7-3)34(31,32)29-13-11-27(6-2)12-14-29/h8-9,15-16H,5-7,10-14H2,1-4H3,(H,25,26,30)
InChIKey
RXMDFMQMRASWOG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tunodafil
CAS: 804518-63-6
CID: 135489224
Formula: C24H33N5O4S
MW: 487.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight487.6
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass487.22532572
Monoisotopic Mass487.22532572
Topological Polar Surface Area105 Ų
Heavy Atom Count34
Formal Charge0
Complexity852
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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