Avasimibe SodiumProduct ingredient for Avasimibe
- Name
- Avasimibe Sodium
- Drug Entry
- Avasimibe
- Accession Number
- DBSALT002013
- Structure
- Synonyms
- Not Available
- UNII
- 32035QP3VQ
- CAS Number
- 166518-61-2
- Weight
- Average: 523.71
Monoisotopic: 523.27322429 - Chemical Formula
- C29H42NNaO4S
- InChI Key
- LENDCHCWVCXELL-UHFFFAOYSA-M
- InChI
- InChI=1S/C29H43NO4S.Na/c1-17(2)22-14-25(20(7)8)27(26(15-22)21(9)10)16-28(31)30-35(32,33)34-29-23(18(3)4)12-11-13-24(29)19(5)6;/h11-15,17-21H,16H2,1-10H3,(H,30,31);/q;+1/p-1
- IUPAC Name
- sodium {[2,6-bis(propan-2-yl)phenoxy]sulfonyl}({2-[2,4,6-tris(propan-2-yl)phenyl]acetyl})azanide
- SMILES
- [Na+].CC(C)C1=CC(C(C)C)=C(CC(=O)[N-]S(=O)(=O)OC2=C(C=CC=C2C(C)C)C(C)C)C(=C1)C(C)C
- External Links
- ChemSpider
- 8383885
- Predicted Properties
Property Value Source Water Solubility 4.51e-05 mg/mL ALOGPS logP 6.06 ALOGPS logP 8.67 Chemaxon logS -7.1 ALOGPS pKa (Strongest Acidic) 2.9 Chemaxon pKa (Strongest Basic) -6 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 69.67 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 144.01 m3·mol-1 Chemaxon Polarizability 57.98 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon