Metabolite N-desethylvardenafil
- Name
- N-desethylvardenafil
- Description
- Not Available
- Structure
Structure for N-desethylvardenafil
- Synonyms
- Not Available
- UNII
- NEP2V4E7Q2
- CAS number
- 448184-46-1
- Weight
- Average: 460.55
Monoisotopic: 460.18927458 - Chemical Formula
- C21H28N6O4S
- InChI Key
- OKUKNGDVADFTHE-UHFFFAOYSA-N
- InChI
- InChI=1S/C21H28N6O4S/c1-4-6-18-23-14(3)19-21(28)24-20(25-27(18)19)16-13-15(7-8-17(16)31-5-2)32(29,30)26-11-9-22-10-12-26/h7-8,13,22H,4-6,9-12H2,1-3H3,(H,24,25,28)
- IUPAC Name
- 2-[2-ethoxy-5-(piperazine-1-sulfonyl)phenyl]-5-methyl-7-propyl-1H,4H-imidazo[4,3-f][1,2,4]triazin-4-one
- SMILES
- CCCC1=NC(C)=C2N1NC(=NC2=O)C1=C(OCC)C=CC(=C1)S(=O)(=O)N1CCNCC1
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- Human Metabolome Database
- HMDB0255115
- ChemSpider
- 21896653
- ZINC
- ZINC000035643770
- Predicted Properties
Property Value Source logP 0.69 Chemaxon pKa (Strongest Acidic) 11.75 Chemaxon pKa (Strongest Basic) 7.16 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 117.92 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 132.67 m3·mol-1 Chemaxon Polarizability 48.92 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon