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Sildenafil

CAT: 0013-GTR19153889-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19153889-01Size:100 mg
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Description
Sildenafil is a Phosphodiesterase 5 Inhibitor with IC50 of 5.22 nM.
CAS Number
139755-83-2
Field of Research
Pharmacology & Drug Discovery
Smiles
O=C1NC (C2=C (OCC) C=CC (S (N3CCN (C) CC3) (=O) =O) =C2) =NC (C (CCC) =N4) =C1N4C
Molecular Formula
C22H30N6O4S
Molecular Weight
474.58
Notes
For research use only.

Chemical Information

Sildenafil

Sildenafil is a pyrazolo[4,3-d]pyrimidin-7-one having a methyl substituent at the 1-position, a propyl substituent at the 3-position and a 2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl group at the 5-position. It has a role as a vasodilator agent and an EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor. It is a member of piperazines, a sulfonamide and a pyrazolopyrimidine.

CAS Number139755-83-2
PubChem CID135398744
IUPAC Name5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
Molecular FormulaC22H30N6O4S
Molecular Weight474.6
XLogP1.5
Topological Polar Surface Area118
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity838
SMILES
CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C
InChI
InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)
InChIKey
BNRNXUUZRGQAQC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sildenafil
CAS: 139755-83-2
CID: 135398744
Formula: C22H30N6O4S
MW: 474.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight474.6
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass474.20492463
Monoisotopic Mass474.20492463
Topological Polar Surface Area118 Ų
Heavy Atom Count33
Formal Charge0
Complexity838
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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CatalogName
A3817-25Sildenafil

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