SODIUM PHENYLBUTYRATE

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Synonyms
Status
Molecule Category Salt-form
ATC A16AX03
UNII NT6K61736T
EPA CompTox DTXSID7040948

Structure

InChI Key VPZRWNZGLKXFOE-UHFFFAOYSA-M
Smiles O=C([O-])CCCc1ccccc1.[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

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H11NaO2
Molecular Weight 186.19
AlogP 2.09
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 37.3
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 12.0

Pharmacology

Mechanism of Action Action Reference
Glutamine sequestering agent SEQUESTERING AGENT PubMed FDA

Cross References

Resources Reference
ChEBI 75316
ChEMBL CHEMBL1746
FDA SRS NT6K61736T
PharmGKB PA166114316
SureChEMBL SCHEMBL125792
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