Basic information
- CAS
57548-79-5- Standard SMILES
CC(C)(Oc1ccc(Cl)cc1)C(=O)OCCNC(=O)c1cccnc1- InChIKey
MCECKJXCBZXVJI-UHFFFAOYSA-N- Molecular formula
- C18H19ClN2O4
- Average molar mass
- 362.8 g/mol
- Monoisotopic mass
- 362.1033348
Overview
Picafibrate is a small molecule drug. The usage of the INN stem '-fibrate' in the name indicates that Picafibrate is a clofibrate derivative, peroxisome proliferator activated receptor-a (PPAR-a) agonist. Picafibrate has a monoisotopic molecular weight of 362.1 Da.
Names & identifiers
- Preferred name
- Picafibrate
- IUPAC
- 2-(pyridine-3-carbonylamino)ethyl 2-(4-chlorophenoxy)-2-methylpropanoate
- English name
- Picafibrate
- Molecular formula
- C18H19ClN2O4
- Molecular weight
- 362.81
Names & synonyms
PicafibratePicafibrato57548-79-5Picafibratum12L83YI68TDTXSID40206180RefChem:174130DTXCID40128671Picafibrate [INN]2-(pyridine-3-carbonylamino)ethyl 2-(4-chlorophenoxy)-2-methylpropanoate2-(p-Chlorophenoxy)-2-methylpropionic acid ester with N-(2-hydroxyethyl)nicotinamideSR-01000945221
Show more names
Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, 2-[(3-pyridinylcarbonyl)amino]ethyl ester
Picafibratum [INN-Latin]Picafibrato [INN-Spanish]UNII-12L83YI68TPicafibrate - API StandardsMLS006011536orb2815548SCHEMBL2109083CHEMBL2106952
Database identifiers
- CAS
57548-79-5- PubChem CID
- 68773
- DTXSID
DTXSID40206180- ChEMBL
CHEMBL2106952- UNII
- 12L83YI68T
- Nikkaji
- J11.868K
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 77.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 450
Physicochemical properties
- FDA UNII
- 12 L83YI68T · 12L83YI68T
Chemistry & industry
Suppliers1 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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