Metabolite Pitavastatin lactone
- Name
- Pitavastatin lactone
- Description
- Not Available
- Structure
Structure for Pitavastatin lactone
- Synonyms
- Not Available
- UNII
- ULK88EV7VQ
- CAS number
- Not Available
- Weight
- Average: 403.453
Monoisotopic: 403.158371735 - Chemical Formula
- C25H22FNO3
- InChI Key
- XJVKVAFYQRWVAJ-VAWYXSNFSA-N
- InChI
- InChI=1S/C25H22FNO3/c26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-19-13-18(28)14-23(29)30-19/h1-4,7-12,16,18-19,28H,5-6,13-14H2/b12-11+
- IUPAC Name
- 6-[(1E)-2-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]ethenyl]-4-hydroxyoxan-2-one
- SMILES
- OC1CC(OC(=O)C1)\C=C\C1=C(C2=CC=C(F)C=C2)C2=CC=CC=C2N=C1C1CC1
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- ChemSpider
- 13828354
- Predicted Properties
Property Value Source logP 4.54 Chemaxon pKa (Strongest Acidic) 14.9 Chemaxon pKa (Strongest Basic) 5.13 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 59.42 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 112.25 m3·mol-1 Chemaxon Polarizability 42.44 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon