Molecular Structure of Sodium 4-phenylbutyrate (CAS NO.1716-12-7):

IUPAC Name: Sodium 4-phenylbutanoate 
Molecular Formula: C₁₀H₁₁NaO₂
Molecular Weight: 186.18 
H-Bond Donor: 0
H-Bond Acceptor: 2
Rotatable Bond Count: 4
Exact Mass: 186.065674
MonoIsotopic Mass: 186.065674
Topological Polar Surface Area: 40.1
Heavy Atom Count: 13
Complexity: 142
Density: 1.095g/cm³
Flash Point: 187.9 °C
Enthalpy of Vaporization: 55.99 kJ/mol
Boiling Point: 290.7 °C at 760 mmHg
Vapour Pressure: 0.000934 mmHg at 25 °C
Classification Code: Antihyperammonemic
Canonical SMILES: C1=CC=C(C=C1)CCCC(=O)[O-].[Na+]
InChI: InChI=1S/C10H12O2.Na/c11-10(12)8-4-7-9-5-2-1-3-6-9;/h1-3,5-6H,4,7-8H2,(H,11,12);/q;+1/p-1
InChIKey: VPZRWNZGLKXFOE-UHFFFAOYSA-M

 Sodium 4-phenylbutyrate (CAS NO.1716-12-7) is a histone deacetylase inhibitor that displays anticancer activity. It inhibits cell proliferation, invasion and migration and induces apoptosis in glioma cells.It also inhibits protein isoprenylation, depletes plasma glutamine, increases production of fetal hemoglobin through transcriptional activation of the γ -globin gene and affects hPPAR γ activation.

 Sodium 4-phenylbutyrate (CAS NO.1716-12-7), its Synonyms are Phenylbutyrate ; Buphenyl ; Sodium phenylbutyrate ; TriButyrate ; Benzenebutanoic acid, sodium salt ; 4-Phenylbutyric acid sodium salt .