Terminology Service for NFDI4Health
dantrolene(1-)
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http://purl.obolibrary.org/obo/CHEBI_59697
The organic anion resulting from the removal of a proton from the hydrogen-bearing nitrogen atom of dantrolene.
Term info
Label
dantrolene(1-)
Synonyms
- 3-({[5-(4-nitrophenyl)furan-2-yl]methylidene}amino)-2,5-dioxoimidazolidin-1-ide
Subsets
3_STAR
IUPAC NAME
3-({[5-(4-nitrophenyl)furan-2-yl]methylidene}amino)-2,5-dioxoimidazolidin-1-ide
[
IUPAC
]
charge
-1
formula
C14H9N4O5
has obo namespace
chebi_ontology
has related synonym
1-((5-(p-nitrophenyl)furfurylidene)amino)hydantoin anion, dantrolene anion
id
CHEBI:59697
inchi
InChI=1S/C14H10N4O5/c19-13-8-17(14(20)16-13)15-7-11-5-6-12(23-11)9-1-3-10(4-2-9)18(21)22/h1-7H,8H2,(H,16,19,20)/p-1
inchikey
OZOMQRBLCMDCEG-UHFFFAOYSA-M
mass
313.24510
monoisotopicmass
313.05784
smiles
[O-][N+](=O)c1ccc(cc1)-c1ccc(C=NN2CC(=O)[N-]C2=O)o1