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Oxohongdenafil

CAT: 0572-TRC-O847140-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-O847140-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1446144-70-2
Synonyms
7H-Pyrazolo[4,3-d]pyrimidin-7-one, 5-[2-ethoxy-5-[2-(4-ethyl-3-oxo-1-piperazinyl)acetyl]phenyl]-1,6-dihydro-1-methyl-3-propyl-; Oxoacetildenafil
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
CCCc1nn(C)c2C(=O)NC(=Nc12)c3cc(ccc3OCC)C(=O)CN4CCN(CC)C(=O)C4
Molecular Formula
C25 H32 N6 O4
Molecular Weight
480.5594
InChI
InChI=1S/C25H32N6O4/c1-5-8-18-22-23(29(4)28-18)25(34)27-24(26-22)17-13-16(9-10-20(17)35-7-3)19(32)14-30-11-12-31(6-2)21(33)15-30/h9-10,13H,5-8,11-12,14-15H2,1-4H3,(H,26,27,34)
Additionnal Information
IUPAC name: 5-[2-ethoxy-5-[2-(4-ethyl-3-oxopiperazin-1-yl)acetyl]phenyl]-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Oxohongdenafil

Oxohongdenafil is an aromatic ketone.

CAS Number1446144-70-2
PubChem CID135565700
IUPAC Name5-[2-ethoxy-5-[2-(4-ethyl-3-oxopiperazin-1-yl)acetyl]phenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
Molecular FormulaC25H32N6O4
Molecular Weight480.6
XLogP1.9
Topological Polar Surface Area109
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count35
Formal Charge0
Complexity835
SMILES
CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)C(=O)CN4CCN(C(=O)C4)CC)OCC)C
InChI
InChI=1S/C25H32N6O4/c1-5-8-18-22-23(29(4)28-18)25(34)27-24(26-22)17-13-16(9-10-20(17)35-7-3)19(32)14-30-11-12-31(6-2)21(33)15-30/h9-10,13H,5-8,11-12,14-15H2,1-4H3,(H,26,27,34)
InChIKey
ADYHMKHETXNXBT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Oxohongdenafil
CAS: 1446144-70-2
CID: 135565700
Formula: C25H32N6O4
MW: 480.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight480.6
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass480.24850352
Monoisotopic Mass480.24850352
Topological Polar Surface Area109 Ų
Heavy Atom Count35
Formal Charge0
Complexity835
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

Alternative Products

CatalogName
AR-S01390-01Oxohongdenafil
AR-S01435-01Oxohongdenafil-d5

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