CHEBI:184644 - dantrolene sodium hemiheptahydrate

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ChEBI Name dantrolene sodium hemiheptahydrate
Definition A hydrate which is the hemiheptahydrate of anhydrous dantrolene sodium.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C28H32N8Na2O17
Net Charge 0
Average Mass 798.57660
Monoisotopic Mass 798.16808
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+;;;;;;;;;
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
Roles Classification
Application(s): muscle relaxant
A drug used to produce muscle relaxation (excepting neuromuscular blocking agents). Its primary clinical and therapeutic use is the treatment of muscle spasm and immobility associated with strains, sprains, and injuries of the back and, to a lesser degree, injuries to the neck. Also used for the treatment of a variety of clinical conditions that have in common only the presence of skeletal muscle hyperactivity, for example, the muscle spasms that can occur in multiple sclerosis.
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ChEBI Ontology
Outgoing dantrolene sodium hemiheptahydrate (CHEBI:184644) has part dantrolene sodium (anhydrous) (CHEBI:4318)
dantrolene sodium hemiheptahydrate (CHEBI:184644) has role muscle relaxant (CHEBI:51371)
dantrolene sodium hemiheptahydrate (CHEBI:184644) is a hydrate (CHEBI:35505)
sodium 3-({[5-(4-nitrophenyl)furan-2-yl]methylidene}amino)-2,5-dioxoimidazolidin-1-ide—water (2/7)
Synonyms Sources
dantrolene sodium ChEBI
Manual Xrefs Databases
DB01219 DrugBank
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Registry Numbers Types Sources
24868-20-0 CAS Registry Number KEGG DRUG
24868-20-0 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
10354395 PubMed citation ChEMBL
3806610 PubMed citation ChEMBL
Last Modified
10 January 2011
General Comment
2011-01-10 Commonly known as dantrolene sodium, the hemiheptahydrate is used for the treatment of malignant hyperthermia (a rare but potentially fatal syndrome associated with general anaesthesia in which a rapid increase in calcium concentration in muscle cytoplasm results in a series of metabolic disturbances), for the relief of chronic, severe spasticity, and for the control of muscle spasm in the treatment of tetanus.