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CHEBI:749228 - sodium phenylacetate

Default Structure
ChEBI IDCHEBI:749228
ChEBI Namesodium phenylacetate
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaNa.C8H7O2
Net Charge0
Average Mass158.132
Monoisotopic Mass158.03437
SMILESO=C([O-])Cc1ccccc1.[Na+]
InChIInChI=1S/C8H8O2.Na/c9-8(10)6-7-4-2-1-3-5-7;/h1-5H,6H2,(H,9,10);/q;+1/p-1
InChIKeyHZOREEUASZHZBI-UHFFFAOYSA-M
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
sodium phenylacetate (CHEBI:749228) has role antineoplastic agent (CHEBI:35610)
sodium phenylacetate (CHEBI:749228) is a benzenes (CHEBI:22712)
Synonyms  Source
NSC-3039ChEMBL
Sodium phenylacetic acidChEMBL
Brand Names  Source
Sodium phenylacetate component of ammonulChEMBL
Sodium phenylacetate component of ucephanChEMBL