Products for Research Use Only
RegisterLogin

Desethyl sildenafil-d3

CAT: 0804-HY-133991S-01Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-133991S-01Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Desethyl Sildenafil-d3 is the deuterium labeled Desethyl Sildenafil[1].
CAS Number
1346603-75-5
UNSPSC
12352005
Target
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Solubility
10 mM in DMSO
Smiles
CCCC1=NN(C)C2=C1NC(C3=CC(S(=O)(N4CCN(CC4)C([2H])([2H])[2H])=O)=CC=C3O)=NC2=O
Molecular Formula
C20H23D3N6O4S
Molecular Weight
449.54
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Desethyl Sildenafil-d3
CAS Number1346603-75-5
PubChem CID136257853
IUPAC Name5-[2-hydroxy-5-[4-(trideuteriomethyl)piperazin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
Molecular FormulaC20H26N6O4S
Molecular Weight449.5
XLogP0.8
Topological Polar Surface Area129
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity807
SMILES
[2H]C([2H])([2H])N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)O)C3=NC4=C(C(=O)N3)N(N=C4CCC)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)/i2D3
InChIKey
LTNJUPYNXDNXBO-BMSJAHLVSA-N
Chemical Structure
2D Structure
2D structure of Desethyl Sildenafil-d3
CAS: 1346603-75-5
CID: 136257853
Formula: C20H26N6O4S
MW: 449.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight449.5
XLogP30.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass449.19245474
Monoisotopic Mass449.19245474
Topological Polar Surface Area129 Ų
Heavy Atom Count31
Formal Charge0
Complexity807
Isotope Atom Count3
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
HY-133991Desethyl sildenafil
HY-15025S-01Sildenafil-d3
HY-W703512-01Iso sildenafil-d3
HY-15025S2-01Sildenafil-d3-1
HY-144163S-01Descarbon Sildenafil-d3
HY-W714205SDesethyl terbumeton-d3
HY-132518S-01Pyrazole N-Demethyl Sildenafil-d3
HY-131932SN-Desethyl-dorzolamide-d3 (hydrochloride)
HY-139517S1-01N-Desethyl etifoxine--13C, d3
HY-117605-01N-Desmethyl Sildenafil

Alternative Products

CatalogName
008392Desethyl Sildenafil-d3
CS-O-10905Desethyl Sildenafil
TRC-D289607-50MGO-Desethyl O-Propyl Sildenafil-d3
MBS5796926O-Desethyl Sildenafil
RM-S040637-01Sildenafil Impurity 37; Desethyl Fondenafil
TRC-D289605-100MGO-Desethyl O-Propyl Sildenafil
sc-500259Demethylpiperazinyl Desethyl Sildenafil Sulfonyl Chloride
CS-O-46084Piperazine N, N-Desethyl Sildenafil
TRC-S688781-25MGSildenafil-D3

Popular Products