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Sildenafil

CAT: 0926-FS27828-02Size: 2 gDry Ice: NoHazardous: No
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CAT#:0926-FS27828-02Size:2 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
139755-83-2
Synonyms
1-[[3- (4,7-Dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl) -4-ethoxyphenyl]sulfonyl]-4-methylpiperazine;5-[2-Ethoxy -5-[ (4-methyl-1-piperazinyl) sulfonyl]phenyl]-1,6-dihydro-1-methyl-3-propyl-7H-pyrazolo[4,3-d]pyrimidin-7-one
MDL Number
MFCD00867528
Smiles
CCCC1=NN (C2=C1N=C (NC2=O) C3=C (C=CC (=C3) S (=O) (=O) N4CCN (CC4) C) OCC) C
Molecular Formula
C22H30N6O4S
Molecular Weight
474.58 g/mol
Controlled
No

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
Loading 3D structure...
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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