dantrolene

Ligand id: 4172

Name: dantrolene

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 118.05
Molecular weight 314.07
XLogP 2.72
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1974))
IUPAC Name
1-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione
International Nonproprietary Names
INN number INN
2317 dantrolene
Synonyms
Dantrium® | F-368 | F-440 | Ryanodex®
Database Links
CAS Registry No. 7261-97-4 (source: Scifinder)
ChEBI CHEBI:4317
ChEMBL Ligand CHEMBL1201288
DrugBank Ligand DB01219
PubChem CID 6914273
Search Google for chemical match using the InChIKey OZOMQRBLCMDCEG-VIZOYTHASA-N
Search Google for chemicals with the same backbone OZOMQRBLCMDCEG
Search PubMed clinical trials dantrolene
Search PubMed titles dantrolene
Search PubMed titles/abstracts dantrolene
Search UniChem for chemical match using the InChIKey OZOMQRBLCMDCEG-VIZOYTHASA-N
Search UniChem for chemicals with the same backbone OZOMQRBLCMDCEG
Wikipedia Dantrolene
Comments
Dantrolene inhibits ryanodine receptor subtypes 1 and 3 (RyR1, and RyR3). The structure of dantrolene is commonly represented in the literature with charges, and it is this structure that we show here and link to in PubChem. However, the FDA and INN documents represent the compound without the charge.
Marketed formulations may contain dantrolene sodium (PubChem CID 6604100).