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Acetildenafil

CAT: 0931-T7876-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T7876-04Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
831217-01-7
Target
PDE
Related Pathways
Metabolism
Bioactivity
Acetildenafil is an analog of the phosphodiesterase inhibitor sildenafil.
Smiles
CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)C(=O)CN1CCN(CC)CC1
Molecular Formula
C25H34N6O3
Molecular Weight
466.58
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Acetildenafil

Acetildenafil is an aromatic ketone.

CAS Number831217-01-7
PubChem CID135566112
IUPAC Name5-[2-ethoxy-5-[2-(4-ethylpiperazin-1-yl)acetyl]phenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
Molecular FormulaC25H34N6O3
Molecular Weight466.6
XLogP2.5
Topological Polar Surface Area92.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count34
Formal Charge0
Complexity753
SMILES
CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)C(=O)CN4CCN(CC4)CC)OCC)C
InChI
InChI=1S/C25H34N6O3/c1-5-8-19-22-23(29(4)28-19)25(33)27-24(26-22)18-15-17(9-10-21(18)34-7-3)20(32)16-31-13-11-30(6-2)12-14-31/h9-10,15H,5-8,11-14,16H2,1-4H3,(H,26,27,33)
InChIKey
RRBRQNALHKQCAI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Acetildenafil
CAS: 831217-01-7
CID: 135566112
Formula: C25H34N6O3
MW: 466.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight466.6
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass466.26923897
Monoisotopic Mass466.26923897
Topological Polar Surface Area92.1 Ų
Heavy Atom Count34
Formal Charge0
Complexity753
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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MBS5758738-01Acetildenafil
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