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Chemical Entities of Biological Interest Ontology
Last uploaded:
December 1, 2024
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| Preferred Name | sodium phenylbutyrate | |
| Synonyms |
Ammonaps 4PBA Benzenebutanoic acid, sodium salt Buphenyl TriButyrate Sodium 4-phenylbutyrate sodium 4-phenylbutanoate |
|
| Definitions |
The organic sodium salt of 4-phenylbutyric acid. A prodrug for phenylacetate, it is used to treat urea cycle disorders. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_75316 |
|
| charge |
0
|
|
| database_cross_reference |
Patent:MX2010009933 PMID:22328638 Patent:FR2959129 Patent:US2009221714 Wikipedia:Sodium_phenylbutyrate KEGG:D05868 PMID:23448466 Reaxys:4039802 PMID:11792861 PMID:22723850 DrugBank:DBSALT002404 PMID:21767572 PMID:21902286 Patent:CN102757334 PMID:22069317 Chemspider:5068 CAS:1716-12-7
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|
| definition |
The organic sodium salt of 4-phenylbutyric acid. A prodrug for phenylacetate, it is used to treat urea cycle disorders.
|
|
| formula |
C10H11NaO2
|
|
| has part | ||
| has role |
http://purl.obolibrary.org/obo/CHEBI_176497 http://purl.obolibrary.org/obo/CHEBI_61115 http://purl.obolibrary.org/obo/CHEBI_71031 |
|
| has_exact_synonym |
sodium 4-phenylbutanoate
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
Ammonaps 4PBA Benzenebutanoic acid, sodium salt Buphenyl TriButyrate Sodium 4-phenylbutyrate
|
|
| id |
CHEBI:75316
|
|
| in_subset | ||
| 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
|
|
| label |
sodium phenylbutyrate
|
|
| mass |
186.18290
|
|
| monoisotopicmass |
186.06567
|
|
| notation |
CHEBI:75316
|
|
| prefLabel |
sodium phenylbutyrate
|
|
| smiles |
[Na+].[O-]C(=O)CCCc1ccccc1
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| treeView | ||
| subClassOf |
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