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Biological and Environmental Research Ontology
Last uploaded:
December 23, 2022
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| Preferred Name | sodium phenylbutyrate | |
| Synonyms |
Sodium 4-phenylbutyrate TriButyrate Benzenebutanoic acid, sodium salt 4PBA Ammonaps Buphenyl 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 |
|
| alternative term |
Sodium 4-phenylbutyrate TriButyrate Benzenebutanoic acid, sodium salt 4PBA Ammonaps Buphenyl sodium 4-phenylbutanoate
|
|
| bearer of |
http://purl.obolibrary.org/obo/CHEBI_176497 http://purl.obolibrary.org/obo/CHEBI_61115 http://purl.obolibrary.org/obo/CHEBI_71031 |
|
| charge |
0
|
|
| database_cross_reference |
CAS:1716-12-7 Reaxys:4039802 DrugBank:DBSALT002404 Chemspider:5068 PMID:21902286 PMID:23448466 PMID:22723850 PMID:21767572 PMID:22328638 PMID:11792861 Patent:CN102757334 Patent:FR2959129 Patent:MX2010009933 Patent:US2009221714 KEGG:D05868 Wikipedia:Sodium_phenylbutyrate PMID:22069317
|
|
| 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_exact_synonym |
sodium 4-phenylbutanoate
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
Sodium 4-phenylbutyrate TriButyrate Benzenebutanoic acid, sodium salt 4PBA Ammonaps Buphenyl
|
|
| 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
|
|
| overlaps | ||
| prefLabel |
sodium phenylbutyrate
|
|
| RO_0000087 |
http://purl.obolibrary.org/obo/CHEBI_176497 http://purl.obolibrary.org/obo/CHEBI_61115 http://purl.obolibrary.org/obo/CHEBI_71031 |
|
| smiles |
[Na+].[O-]C(=O)CCCc1ccccc1
|
|
| subClassOf |
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