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CHEBI:31204 - sodium p-aminohippurate

Default Structure
ChEBI IDCHEBI:31204
ChEBI Namesodium p-aminohippurate
Stars
ASCII Namesodium p-aminohippurate
DefinitionAn organic sodium salt that is the monosodium salt of p-aminohippuric acid.
Last Modified12 March 2018
DownloadsMolfile
FormulaC9H9N2O3.Na
Net Charge0
Average Mass216.172
Monoisotopic Mass216.05109
SMILESNc1ccc(C(=O)NCC(=O)[O-])cc1.[Na+]
InChIInChI=1S/C9H10N2O3.Na/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13;/h1-4H,5,10H2,(H,11,14)(H,12,13);/q;+1/p-1
InChIKeyUNZMYCAEMNVPHX-UHFFFAOYSA-M
Roles Classification
Application:
diagnostic agent  A substance administered to aid diagnosis of a disease.
ChEBI Ontology
Outgoing Relation(s)
sodium p-aminohippurate (CHEBI:31204) has part p-aminohippurate (CHEBI:64703)
sodium p-aminohippurate (CHEBI:31204) has role diagnostic agent (CHEBI:33295)
sodium p-aminohippurate (CHEBI:31204) is a organic sodium salt (CHEBI:38700)
IUPAC Name 
sodium N-(4-aminobenzoyl)glycinate
Synonyms  Source
4-Aminohippursäure natriumsalzChemIDplus
Aminohippurate sodiumKEGG DRUG
Aminohippuric acid Sodium saltDrugBank
Monosodium p-aminohippurateChemIDplus
N-(4-Aminobenzoyl)glycine monosodium saltChemIDplus
Natrium 4-aminohippuratChEBI
Manual XrefsDatabases
D01421KEGG DRUG
DB00345DrugBank
Registry NumbersSources
Beilstein:10732978Beilstein
CAS:94-16-6KEGG DRUG
CAS:94-16-6DrugBank
CAS:94-16-6ChemIDplus