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CHEBI:59697 - dantrolene(1−)

ChEBI IDCHEBI:59697
ChEBI Namedantrolene(1−)
Stars
ASCII Namedantrolene(1-)
DefinitionThe organic anion resulting from the removal of a proton from the hydrogen-bearing nitrogen atom of dantrolene.
Last Modified25 February 2020
SubmitterGareth Owen
DownloadsMolfile
FormulaC14H9N4O5
Net Charge-1
Average Mass313.249
Monoisotopic Mass313.05784
SMILES[H]C(=NN1CC(=O)[N-]C1=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1
InChIInChI=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
InChIKeyOZOMQRBLCMDCEG-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
dantrolene(1−) (CHEBI:59697) is a organic anion (CHEBI:25696)
dantrolene(1−) (CHEBI:59697) is conjugate base of dantrolene (CHEBI:4317)
Incoming Relation(s)
dantrolene sodium (anhydrous) (CHEBI:4318) has part dantrolene(1−) (CHEBI:59697)
dantrolene (CHEBI:4317) is conjugate acid of dantrolene(1−) (CHEBI:59697)
IUPAC Name 
3-({[5-(4-nitrophenyl)furan-2-yl]methylidene}amino)-2,5-dioxoimidazolidin-1-ide
Synonyms  Source
dantrolene anionChEBI
1-((5-(p-nitrophenyl)furfurylidene)amino)hydantoin anionChEBI