Hydroxythio Acetildenafil

CAT: 1596-AR-S01463-05Size: 150Dry Ice: NoHazardous: No

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CAT#:1596-AR-S01463-05Size:150

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CAS Number

1159977-47-5

Synonyms

1- (4-ethoxy-3- (1-methyl-3-propyl-7-thioxo-4,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl) phenyl) -2- (4- (2-hydroxyethyl) piperazin-1-yl) ethanone; 5-[2-Ethoxy-5-[2-[4- (2-hydroxyethyl) -1-piperazinyl]acetyl]phenyl]-1,6-dihydro-1-methyl-3-propyl-7H-7-thio-pyrazolo[4,3-d]pyrimidine; 1-[3- (6,7-Dihydro-1-methyl-3-propyl-7-thioxo-1H-pyrazolo[4,3-d]pyrimidin-5-yl) -4-ethoxyphenyl]-2-[4- (2-hydroxyethyl) -1-piperazinyl]ethanone

Molecular Formula

C25H34N6O3S

Molecular Weight

498.65

API Name

Sildenafil

Chemical Information

Hydroxythio Acetildenafil

CAS Number	1159977-47-5
PubChem CID	46781908
IUPAC Name	1-[4-ethoxy-3-(1-methyl-3-propyl-7-sulfanylidene-4H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
Molecular Formula	C25H34N6O3S
Molecular Weight	498.6
XLogP	2
Topological Polar Surface Area	127
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	10
Heavy Atom Count	35
Formal Charge	0
Complexity	774

SMILES

CCCC1=NN(C2=C1NC(=NC2=S)C3=C(C=CC(=C3)C(=O)CN4CCN(CC4)CCO)OCC)C

InChI

InChI=1S/C25H34N6O3S/c1-4-6-19-22-23(29(3)28-19)25(35)27-24(26-22)18-15-17(7-8-21(18)34-5-2)20(33)16-31-11-9-30(10-12-31)13-14-32/h7-8,15,32H,4-6,9-14,16H2,1-3H3,(H,26,27,35)

InChIKey

GOXVEZHZFNNJSU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1159977-47-5

CID: 46781908

Formula: C25H34N6O3S

MW: 498.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	498.6
XLogP3	2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	10
Exact Mass	498.24131014
Monoisotopic Mass	498.24131014
Topological Polar Surface Area	127 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	774
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

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