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Sildenafil Dimer Impurity

CAT: 1596-AR-S07520-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-S07520-01Size:10 Units
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CAS Number
1346602-67-2
Synonyms
5,5′-[piperazin-1,4-diylbis[dioxo-λ6-sulfanediyl (2-ethoxy-5,1-phenylene) ]]bis (1-methyl-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one) ; Sildenafil EP Impurity G
Molecular Formula
C38H46N10O8S2
Molecular Weight
834.97
API Name
Sildenafil

Chemical Information

Sildenafil dimer
CAS Number1346602-67-2
PubChem CID135564618
IUPAC Name5-[2-ethoxy-5-[4-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]sulfonylpiperazin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
Molecular FormulaC38H46N10O8S2
Molecular Weight835.0
XLogP2.9
Topological Polar Surface Area229
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count14
Rotatable Bond Count14
Heavy Atom Count58
Formal Charge0
Complexity1650
SMILES
CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)S(=O)(=O)C5=CC(=C(C=C5)OCC)C6=NC7=C(C(=O)N6)N(N=C7CCC)C)OCC)C
InChI
InChI=1S/C38H46N10O8S2/c1-7-11-27-31-33(45(5)43-27)37(49)41-35(39-31)25-21-23(13-15-29(25)55-9-3)57(51,52)47-17-19-48(20-18-47)58(53,54)24-14-16-30(56-10-4)26(22-24)36-40-32-28(12-8-2)44-46(6)34(32)38(50)42-36/h13-16,21-22H,7-12,17-20H2,1-6H3,(H,39,41,49)(H,40,42,50)
InChIKey
OPIJAYPVGDPKAA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sildenafil dimer
CAS: 1346602-67-2
CID: 135564618
Formula: C38H46N10O8S2
MW: 835.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight835.0
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count14
Rotatable Bond Count14
Exact Mass834.29415081
Monoisotopic Mass834.29415081
Topological Polar Surface Area229 Ų
Heavy Atom Count58
Formal Charge0
Complexity1650
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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