Dantrolene sodiumProduct ingredient for Dantrolene
- Name
- Dantrolene sodium
- Drug Entry
- Dantrolene
Chemically, dantrolene is a hydantoin derivative, but does not exhibit antiepileptic activity like other hydantoin derivates such as phenytoin.
- Accession Number
- DBSALT000397
- Structure
Structure for Dantrolene sodium (DBSALT000397)
- Synonyms
- Dantrolene sodium / Dantrolene sodium, hemiheptahydrate
- External IDs
- F 440 / F-440
- UNII
- 287M0347EV
- CAS Number
- 24868-20-0
- Weight
- Average: 798.583
Monoisotopic: 798.16808016 - Chemical Formula
- C28H32N8Na2O17
- InChI Key
- LTWQNYPDAUSXBC-CDJGKPBYSA-L
- 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+;;;;;;;;;
- IUPAC Name
- disodium bis(3-[(E)-{[5-(4-nitrophenyl)furan-2-yl]methylidene}amino]-2,5-dioxoimidazolidin-1-ide) heptahydrate
- SMILES
- O.O.O.O.O.O.O.[Na+].[Na+].[O-][N+](=O)C1=CC=C(C=C1)C1=CC=C(O1)\C=N\N1CC(=O)[N-]C1=O.[O-][N+](=O)C1=CC=C(C=C1)C1=CC=C(O1)\C=N\N1CC(=O)[N-]C1=O
- External Links
- Human Metabolome Database
- HMDB0015350
- KEGG Compound
- C06939
- PubChem Compound
- 6914273
- ChemSpider
- 7843345
- ChEBI
- 184644
- ChEMBL
- CHEMBL1725283
- PharmGKB
- PA449208
- Wikipedia
- Dantrolene
- Predicted Properties
Property Value Source Water Solubility 0.152 mg/mL ALOGPS logP 1.61 ALOGPS logP 1.26 Chemaxon logS -3.4 ALOGPS pKa (Strongest Acidic) 8.23 Chemaxon pKa (Strongest Basic) -1.3 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 115.25 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 77.07 m3·mol-1 Chemaxon Polarizability 29.57 Å3 Chemaxon Number of Rings 6 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon