CHEBI:4318 - dantrolene sodium (anhydrous)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name dantrolene sodium (anhydrous)
ChEBI ID CHEBI:4318
Definition The anhydrous sodium salt of dantrolene.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C14H9N4NaO5
Net Charge 0
Average Mass 336.23480
Monoisotopic Mass 336.04706
InChI InChI=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
InChIKey KSRLIXGNPXAZHD-UHFFFAOYSA-M
SMILES [Na+].[O-][N+](=O)c1ccc(cc1)-c1ccc(C=NN2CC(=O)[N-]C2=O)o1
ChEBI Ontology
Outgoing dantrolene sodium (anhydrous) (CHEBI:4318) has part dantrolene(1−) (CHEBI:59697)
dantrolene sodium (anhydrous) (CHEBI:4318) is a organic sodium salt (CHEBI:38700)
Incoming 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 Sources
1-((5-(p-nitrophenyl)furfurylidene)amino)hydantoin sodium ChemIDplus
anhydrous dantrolene sodium ChEBI
dantrolene sodium ChemIDplus
Dantrolene sodium anhydrous KEGG COMPOUND
Manual Xref Database
C07933 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
14663-23-1 CAS Registry Number ChemIDplus
5698800 Beilstein Registry Number Beilstein
Last Modified
04 August 2014
General Comment
2011-01-10 Note that the hemiheptahydrate of the sodium salt is commonly called dantrolene sodium and is used as a centrally acting muscle relaxant.