Salafibrate
Basic information
- CAS
64496-66-8- Standard SMILES
CC(=O)Oc1ccccc1C(=O)OC(COC(=O)C(C)(C)Oc1ccc(Cl)cc1)COC(=O)C(C)(C)Oc1ccc(Cl)cc1- InChIKey
GVOWJSGFINMTQK-UHFFFAOYSA-N- Molecular formula
- C32H32Cl2O10
- Average molar mass
- 647.5 g/mol
- Monoisotopic mass
- 646.1372526
Overview
Salafibrate is a small molecule drug. The usage of the INN stem '-fibrate' in the name indicates that Salafibrate is a clofibrate derivative, peroxisome proliferator activated receptor-a (PPAR-a) agonist. Salafibrate has a monoisotopic molecular weight of 646.14 Da.
Names & identifiers
- Preferred name
- Salafibrate
- IUPAC
- 1,3-bis[[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy]propan-2-yl 2-acetyloxybenzoate
- English name
- Salafibrate
- Molecular formula
- C32H32Cl2O10
- Molecular weight
- 647.5
Names & synonyms
SalafibrateSalafibrato64496-66-8Salafibrate [INN]SalafibratumUNII-HJ57229JPXHJ57229JPXDTXSID602147422-(2-Acetoxybenzoyloxy)trimethylen bis(2-(4-chlorphenoxy)-2-methylpropionat)RefChem:180879DTXCID901372331,3-bis[[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy]propan-2-yl 2-acetyloxybenzoate
Show more names
1,2,3-Propanetriol 1,3-bis[2-(4-chlorophenoxy)-2-methylpropionate]2-(2-acetyloxybenzoate)Benzoic acid, 2-(acetyloxy)-, 2-[2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy]-1-[[2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy]methyl]ethyl ester
SCHEMBL2110654CHEMBL2103909NS00121766Q272799541,3-Bis{[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy}propan-2-yl 2-(acetyloxy)benzoate2-Hydroxy-1-(hydroxymethyl)ethyl salicylate 2-acetate bis(2-(p-chlorophenoxy)-2-methylpropionate)
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 17
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 918
Physicochemical properties
- FDA UNII
- 57229 JPX · HJ57229JPX
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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