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CHEBI:4318 - dantrolene sodium (anhydrous)

ChEBI IDCHEBI:4318
ChEBI Namedantrolene sodium (anhydrous)
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DefinitionThe anhydrous sodium salt of dantrolene.
Last Modified3 August 2014
DownloadsMolfile
FormulaC14H9N4O5.Na
Net Charge0
Average Mass336.239
Monoisotopic Mass336.04706
SMILESO=C1CN(N=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)[N-]1.[Na+]
InChIInChI=1S/C14H10N4O5.Na/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);/q;+1/p-1
InChIKeyKSRLIXGNPXAZHD-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
dantrolene sodium (anhydrous) (CHEBI:4318) has part dantrolene(1−) (CHEBI:59697)
dantrolene sodium (anhydrous) (CHEBI:4318) is a organic sodium salt (CHEBI:38700)
Incoming Relation(s)
dantrolene sodium hemiheptahydrate (CHEBI:184644) has part dantrolene sodium (anhydrous) (CHEBI:4318)
IUPAC Name 
sodium 3-({[5-(4-nitrophenyl)furan-2-yl]methylidene}amino)-2,5-dioxoimidazolidin-1-ide
Synonyms  Source
Dantrolene sodium anhydrousKEGG COMPOUND
dantrolene sodiumChemIDplus
1-((5-(p-nitrophenyl)furfurylidene)amino)hydantoin sodiumChemIDplus
anhydrous dantrolene sodiumChEBI
Manual XrefsDatabases
C07933KEGG COMPOUND
Registry NumbersSources
Beilstein:5698800Beilstein
CAS:14663-23-1KEGG COMPOUND
CAS:14663-23-1ChemIDplus