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dantrolene sodium hemiheptahydrate

Go to external page http://purl.obolibrary.org/obo/CHEBI_184644

A hydrate which is the hemiheptahydrate of anhydrous dantrolene sodium.

Term info

Label

dantrolene sodium hemiheptahydrate

Synonyms
  • sodium 3-({[5-(4-nitrophenyl)furan-2-yl]methylidene}amino)-2,5-dioxoimidazolidin-1-ide--water (2/7)
database cross reference
Subsets

3_STAR

IUPAC NAME
sodium 3-({[5-(4-nitrophenyl)furan-2-yl]methylidene}amino)-2,5-dioxoimidazolidin-1-ide--water (2/7) [ IUPAC ]

charge

0

formula

C28H32N8Na2O17

has obo namespace

chebi_ontology

has related synonym

dantrolene sodium, DANTROLENE SODIUM

id

CHEBI:184644

inchi

InChI=1S/2C14H10N4O5.2Na.7H2O/c2*19-13-8-17(14(20)16-13)15-7-11-5-6-12(23-11)9-1-3-10(4-2-9)18(21)22;;;;;;;;;/h2*1-7H,8H2,(H,16,19,20);;;7*1H2/q;;2*+1;;;;;;;/p-2/b2*15-7+;;;;;;;;;

inchikey

LTWQNYPDAUSXBC-CDJGKPBYSA-L

mass

798.57660

monoisotopicmass

798.16808

smiles

O.O.O.O.O.O.O.[Na+].[Na+].[O-][N+](=O)c1ccc(cc1)-c1ccc(\C=N\N2CC(=O)[N-]C2=O)o1.[O-][N+](=O)c1ccc(cc1)-c1ccc(\C=N\N2CC(=O)[N-]C2=O)o1