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CHEBI:31778 - Lobenzarit disodium

ChEBI IDCHEBI:31778
ChEBI NameLobenzarit disodium
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaC14H8ClNO4.2Na
Net Charge0
Average Mass335.654
Monoisotopic Mass334.99372
SMILESO=C([O-])c1ccccc1Nc1cc(Cl)ccc1C(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C14H10ClNO4.2Na/c15-8-5-6-10(14(19)20)12(7-8)16-11-4-2-1-3-9(11)13(17)18;;/h1-7,16H,(H,17,18)(H,19,20);;/q;2*+1/p-2
InChIKeyQPJBONAWFAURGB-UHFFFAOYSA-L
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Lobenzarit disodium (CHEBI:31778) is a aminobenzoic acid (CHEBI:22495)
Synonyms  Source
Lobenzarit disodiumKEGG COMPOUND
Lobenzarit sodiumKEGG COMPOUND
Manual XrefsDatabases
D01808KEGG DRUG
Registry NumbersSources
CAS:64808-48-6KEGG COMPOUND