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dantrolene sodium (anhydrous)

Go to external page http://purl.obolibrary.org/obo/CHEBI_4318

The anhydrous sodium salt of dantrolene.

Term info

Label

dantrolene sodium (anhydrous)

Synonyms
  • sodium 3-({[5-(4-nitrophenyl)furan-2-yl]methylidene}amino)-2,5-dioxoimidazolidin-1-ide
database cross reference
Subsets

3_STAR

IUPAC NAME
sodium 3-({[5-(4-nitrophenyl)furan-2-yl]methylidene}amino)-2,5-dioxoimidazolidin-1-ide [ IUPAC ]

charge

0

formula

C14H9N4NaO5

has obo namespace

chebi_ontology

has related synonym

dantrolene sodium, anhydrous dantrolene sodium, Dantrolene sodium anhydrous, 1-((5-(p-nitrophenyl)furfurylidene)amino)hydantoin sodium

id

CHEBI:4318

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

mass

336.23480

monoisotopicmass

336.04706

smiles

[Na+].[O-][N+](=O)c1ccc(cc1)-c1ccc(C=NN2CC(=O)[N-]C2=O)o1