Products for Research Use Only
RegisterLogin

N-Desethyl Acetildenafil

CAT: 0572-TRC-D288820-10MGSize: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-D288820-10MGSize:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
147676-55-9
Hazard Statement
Causes skin irritation.
Purity
>95% (HPLC)
Smiles
CCCc1nn(C)c2C(=O)NC(=Nc12)c3cc(ccc3OCC)C(=O)CN4CCNCC4
Molecular Formula
C23 H30 N6 O3
Molecular Weight
438.52
InChI
InChI=1S/C23H30N6O3/c1-4-6-17-20-21(28(3)27-17)23(31)26-22(25-20)16-13-15(7-8-19(16)32-5-2)18(30)14-29-11-9-24-10-12-29/h7-8,13,24H,4-6,9-12,14H2,1-3H3,(H,25,26,31)
Additionnal Information
IUPAC name: 5-[2-ethoxy-5-(2-piperazin-1-ylacetyl)phenyl]-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

N-Desethyl acetildenafil
CAS Number147676-55-9
PubChem CID135564684
IUPAC Name5-[2-ethoxy-5-(2-piperazin-1-ylacetyl)phenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
Molecular FormulaC23H30N6O3
Molecular Weight438.5
XLogP1.6
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count32
Formal Charge0
Complexity710
SMILES
CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)C(=O)CN4CCNCC4)OCC)C
InChI
InChI=1S/C23H30N6O3/c1-4-6-17-20-21(28(3)27-17)23(31)26-22(25-20)16-13-15(7-8-19(16)32-5-2)18(30)14-29-11-9-24-10-12-29/h7-8,13,24H,4-6,9-12,14H2,1-3H3,(H,25,26,31)
InChIKey
WEOQBTNHLQVMQF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Desethyl acetildenafil
CAS: 147676-55-9
CID: 135564684
Formula: C23H30N6O3
MW: 438.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight438.5
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass438.23793884
Monoisotopic Mass438.23793884
Topological Polar Surface Area101 Ų
Heavy Atom Count32
Formal Charge0
Complexity710
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
TRC-A161600-2.5MGAcetildenafil
TRC-A161600-10MGAcetildenafil
TRC-A161600-1MGAcetildenafil
TRC-A161602-10MGAcetildenafil-d8
TRC-N660500-1MGNor Acetildenafil
TRC-H739940-5MGHydroxy Acetildenafil
TRC-A161602-1MGAcetildenafil-d8
H963100Hydroxythio Acetildenafil
TRC-H739940-50MGHydroxy Acetildenafil
TRC-N660500-5MGNor Acetildenafil

Alternative Products

CatalogName
FD16530-01N-Desethyl acetildenafil
WZB82046-01N-Boc-N-desethyl acetildenafil
sc-219108N-Desethyl Acetildenafil-d8 Dihydrochloride
MBS5758738-01Acetildenafil

Popular Products