chempirical

Dantrolene sodium

C14H9N4NaO5CAS 14663-23-1336.24 g/mol

Open in Covalent MOL file
O−N+ONNON−OONa+
HydrazoneNitro

Properties

Molecular formula
C14H9N4NaO5
Molar mass
336.24 g/mol
Exact mass
336.0471 Da
logP
2.20Crippen estimate
Polar surface area
121.5 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
4

Identifiers

CAS number
14663-23-1
SMILES
[O-][N+](=O)c1ccc(-c2ccc(C=NN3CC(=O)[N-]C3=O)o2)cc1.[Na+]
InChIKey
BDZCLIOURDFSFQ-UHFFFAOYSA-N
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);

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • 2,4-Imidazolidinedione, 1-[[[5-(4-nitrophenyl)-2-furanyl]methylene]amino]-, sodium salt (1:1)
  • Hydantoin, 1-[[5-(p-nitrophenyl)furfurylidene]amino]-, sodium salt
  • 2,4-Imidazolidinedione, 1-[[[5-(4-nitrophenyl)-2-furanyl]methylene]amino]-, sodium salt
  • F 440
  • Dantrium
  • Sodium dantrolene
  • Ryanodex

Work with Dantrolene sodium

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-[[5-(p-Nitrophenyl)furfurylidene]amino]hydantoin sodium salt hydrate24868-20-095 % similar 5-(4-Nitrophenyl)-2-furancarboxaldehyde7147-77-547 % similar Furantoin67-20-940 % similar 5-(4-Nitrophenyl)-2-furancarboxylic acid28123-73-140 % similar Furazolidone67-45-839 % similar 5-(3-Nitrophenyl)-2-furaldehyde13148-43-135 % similar Nifuratel4936-47-435 % similar Furaltadone139-91-334 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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