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Chemical structure of Dantrolene

GC65503

Dantrolene

Also known as 1-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione

Dantrolene (F368), a muscle relaxant, non-competitively inhibits human erythrocyte glutathione reductase

ChemicalCAS7261-97-4MW314.25FormulaC14H10N4O5
CAS number
7261-97-4
Molecular weight
314.25
Formula
C14H10N4O5
Solubility
DMSO : ≥ 20 mg/mL (63·64 mM)
InChIKey
OZOMQRBLCMDCEG-UHFFFAOYSA-N
Catalogue number
GC65503
Brand
GLPBIO
Computed properties PubChem CID 2952 · XLogP 1.7 · TPSA 121 Ų · H-bond donors 1
XLogP
1.7
TPSA
121 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
23

SMILES C1C(=O)NC(=O)N1N=CC2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]

Computed descriptors from PubChem (CID 2952), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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