Metabolite M13 pitavastatin
- Name
- M13 pitavastatin
- Description
- Not Available
- Structure
Structure for M13 pitavastatin
- Synonyms
- Not Available
- UNII
- LW7V5ZBK9R
- CAS number
- Not Available
- Weight
- Average: 437.467
Monoisotopic: 437.16385104 - Chemical Formula
- C25H24FNO5
- InChI Key
- XWHCMMKZXJAJMB-NDZBKKTDSA-N
- InChI
- InChI=1S/C25H24FNO5/c26-16-8-6-14(7-9-16)23-19-2-1-3-21(30)25(19)27-24(15-4-5-15)20(23)11-10-17(28)12-18(29)13-22(31)32/h1-3,6-11,15,17-18,28-30H,4-5,12-13H2,(H,31,32)/b11-10+/t17-,18-/m1/s1
- IUPAC Name
- (3R,5S,6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)-8-hydroxyquinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid
- SMILES
- O[C@H](C[C@H](O)\C=C\C1=C(C2=CC=C(F)C=C2)C2=CC=CC(O)=C2N=C1C1CC1)CC(O)=O
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- ChemSpider
- 48061418
- Predicted Properties
Property Value Source logP 3.01 Chemaxon pKa (Strongest Acidic) 3.73 Chemaxon pKa (Strongest Basic) 4.58 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 110.88 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 117.72 m3·mol-1 Chemaxon Polarizability 44.76 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 Yes Chemaxon