Metabolite 4‐hydroxy praziquantel
- Name
- 4‐hydroxy praziquantel
- Description
- Not Available
- Structure
Structure for 4‐hydroxy praziquantel
- Synonyms
- Not Available
- UNII
- S76ZX3N3LF
- CAS number
- Not Available
- Weight
- Average: 328.412
Monoisotopic: 328.178692641 - Chemical Formula
- C19H24N2O3
- InChI Key
- OKTGUGBZQBTMHZ-UHFFFAOYSA-N
- InChI
- InChI=1S/C19H24N2O3/c22-15-7-5-14(6-8-15)19(24)20-11-17-16-4-2-1-3-13(16)9-10-21(17)18(23)12-20/h1-4,14-15,17,22H,5-12H2
- IUPAC Name
- 2-(4-hydroxycyclohexanecarbonyl)-1H,2H,3H,4H,6H,7H,11bH-pyrazino[2,1-a]isoquinolin-4-one
- SMILES
- OC1CCC(CC1)C(=O)N1CC2N(CCC3=CC=CC=C23)C(=O)C1
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- ChemSpider
- 151649
- ChEMBL
- CHEMBL1470
- Predicted Properties
Property Value Source logP 0.91 Chemaxon pKa (Strongest Acidic) 18.16 Chemaxon pKa (Strongest Basic) 3.86 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 60.85 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 90.45 m3·mol-1 Chemaxon Polarizability 35.74 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon