Metabolite Pitavastatin glucuronide
- Name
- Pitavastatin glucuronide
- Description
- Not Available
- Structure
Structure for Pitavastatin glucuronide
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 597.592
Monoisotopic: 597.201024397 - Chemical Formula
- C31H32FNO10
- InChI Key
- QBNFJKKTKRSBGF-SQBBDGIMSA-N
- InChI
- InChI=1S/C31H32FNO10/c32-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)33-25(16-5-6-16)21(24)12-11-18(34)13-19(35)14-23(36)42-31-28(39)26(37)27(38)29(43-31)30(40)41/h1-4,7-12,16,18-19,26-29,31,34-35,37-39H,5-6,13-14H2,(H,40,41)/b12-11+/t18-,19-,26?,27?,28?,29?,31?/m1/s1
- IUPAC Name
- 6-{[(3R,5S,6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoyl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
- SMILES
- O[C@H](C[C@H](O)\C=C\C1=C(C2=CC=C(F)C=C2)C2=CC=CC=C2N=C1C1CC1)CC(=O)OC1OC(C(O)C(O)C1O)C(O)=O
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- Not Available
- Predicted Properties
Property Value Source logP 0.23 Chemaxon pKa (Strongest Acidic) 3.24 Chemaxon pKa (Strongest Basic) 5.14 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 10 Chemaxon Hydrogen Donor Count 6 Chemaxon Polar Surface Area 186.87 Å2 Chemaxon Rotatable Bond Count 11 Chemaxon Refractivity 148.04 m3·mol-1 Chemaxon Polarizability 59.1 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon