Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
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
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
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.