Sildenafil

CAT: 1489-S6070-01Size: 500 mgDry Ice: NoHazardous: No

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CAT#:1489-S6070-01Size:500 mg

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CAS Number

139755-83-2

Purity

0.98

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 Number	139755-83-2
PubChem CID	135398744
IUPAC Name	5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
Molecular Formula	C22H30N6O4S
Molecular Weight	474.6
XLogP	1.5
Topological Polar Surface Area	118
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Heavy Atom Count	33
Formal Charge	0
Complexity	838

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

CAS: 139755-83-2

CID: 135398744

Formula: C22H30N6O4S

MW: 474.6

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	474.6
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Exact Mass	474.20492463
Monoisotopic Mass	474.20492463
Topological Polar Surface Area	118 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	838
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
A3817-25	Sildenafil

Sildenafil

Chemical Information

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