Products for Research Use Only
RegisterLogin

O-Desethyl Sildenafil

CAT: 0931-T35601Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T35601Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
139755-91-2
Target
PDE, Others
Related Pathways
Others, Metabolism
Bioactivity
O-Desethyl sildenafil is a metabolite of the phosphodiesterase 5 (PDE5) inhibitor sildenafil .1
Smiles
CCCc1nn(C)c2c1[nH]c(nc2=O)-c1cc(ccc1O)S(=O)(=O)N1CCN(C)CC1
Molecular Formula
C20H26N6O4S
Molecular Weight
446.53
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

o-Desethyl sildenafil
CAS Number139755-91-2
PubChem CID135565516
IUPAC Name5-[2-hydroxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
Molecular FormulaC20H26N6O4S
Molecular Weight446.5
XLogP0.8
Topological Polar Surface Area129
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity807
SMILES
CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)O)C
InChI
InChI=1S/C20H26N6O4S/c1-4-5-15-17-18(25(3)23-15)20(28)22-19(21-17)14-12-13(6-7-16(14)27)31(29,30)26-10-8-24(2)9-11-26/h6-7,12,27H,4-5,8-11H2,1-3H3,(H,21,22,28)
InChIKey
LTNJUPYNXDNXBO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of o-Desethyl sildenafil
CAS: 139755-91-2
CID: 135565516
Formula: C20H26N6O4S
MW: 446.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight446.5
XLogP30.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass446.17362451
Monoisotopic Mass446.17362451
Topological Polar Surface Area129 Ų
Heavy Atom Count31
Formal Charge0
Complexity807
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

Related Products

CatalogName
T67849-01O-Desethyl Dapagliflozin
T36061-01N-Desmethyl Sildenafil
TMID-0050-01N-Desmethyl Sildenafil-d8
T36062-01N-Desmethyl Sildenafil (citrate)
T206222-01Pyrazole N-Desmethyl sildenafil
T1164-01Sildenafil
TMID-0051-01N-Desmethyl Sildenafil-d8 hydrochloride
T69593-01Sildenafil nitrate
T0467-01Sildenafil citrate
T36444-01Sildenafil Chlorosulfonyl

Alternative Products

CatalogName
MBS5796926O-Desethyl Sildenafil
TRC-D289605-100MGO-Desethyl O-Propyl Sildenafil
TRC-D289607-50MGO-Desethyl O-Propyl Sildenafil-d3
CS-O-10905Desethyl Sildenafil
008392Desethyl Sildenafil-d3
RM-S040637-01Sildenafil Impurity 37; Desethyl Fondenafil
sc-500259Demethylpiperazinyl Desethyl Sildenafil Sulfonyl Chloride

Popular Products