Molecular Identity
Sodium Phenylbutyrate
sodium 4-phenylbutanoate
PubChem CID: 5258
Sodium phenylbutyrate is the organic sodium salt of 4-phenylbutyric acid. A prodrug for phenylacetate, it is used to treat urea cycle disorders. It has a role as a geroprotector, a prodrug, an EC 3.5.1.98 (histone deacetylase) inhibitor, a neuroprotective agent and an orphan drug. It contains a 4-phenylbutyrate.
2D Structure
Properties
C10H11NaO2
Molecular Formula
186.18
Molecular Weight
g/mol
186.0657
Exact Mass
Da
40.1
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
2
H-Bond Acceptors
142
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC=C(C=C1)CCCC(=O)[O-].[Na+]Isomeric SMILES
SMILES: C1=CC=C(C=C1)CCCC(=O)[O-].[Na+]Synonyms(20)
Sodium 4-phenylbutyrateSODIUM PHENYLBUTYRATE1716-12-7BuphenylTriButyrateBenzenebutanoic acid, sodium saltAmmonapsPheburane4-phenylbutyric acid, sodium saltOLPRUVADTXSID7040948NT6K61736TACER-001NSC-657802DTXCID5020948
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Sodium Phenylbutyrate
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