Bocidelpar sulfateProduct ingredient for Bocidelpar
- Name
- Bocidelpar sulfate
- Drug Entry
- Bocidelpar
- Accession Number
- DBSALT003362
- Structure
Structure for Bocidelpar sulfate (DBSALT003362)
- Synonyms
- (3R)-3-methyl-6-(2-((5-methyl-2-(4-(trifluoromethyl)phenyl)-1H-imidazol-1-yl)methyl)phenoxy)hexanoic acid hemisulfate / ASP0367 hemisulfate / Hexanoic acid, 3-methyl-6-(2-((5-methyl-2-(4-(trifluoromethyl)phenyl)-1H-imidazol-1-yl)methyl)phenoxy)-, (3R)-, sulfate (2:1)
- UNII
- LWF2PR5DHD
- CAS Number
- 2095128-21-3
- Weight
- Average: 558.57
Monoisotopic: 558.164756945 - Chemical Formula
- C25H29F3N2O7S
- InChI Key
- KQZUMUQVRPOWSE-UHFFFAOYSA-N
- InChI
- InChI=1S/C25H27F3N2O3.H2O4S/c1-17(14-23(31)32)6-5-13-33-22-8-4-3-7-20(22)16-30-18(2)15-29-24(30)19-9-11-21(12-10-19)25(26,27)28;1-5(2,3)4/h3-4,7-12,15,17H,5-6,13-14,16H2,1-2H3,(H,31,32);(H2,1,2,3,4)
- IUPAC Name
- 3-methyl-6-[2-({5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-1-yl}methyl)phenoxy]hexanoic acid; sulfuric acid
- SMILES
- OS(O)(=O)=O.CC(CCCOC1=CC=CC=C1CN1C(C)=CN=C1C1=CC=C(C=C1)C(F)(F)F)CC(O)=O
- External Links
- Not Available
- Predicted Properties
Property Value Source logP 4.7 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 64.35 Å2 Chemaxon Rotatable Bond Count 11 Chemaxon Refractivity 130.5 m3·mol-1 Chemaxon Polarizability 45.98 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon