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Dantrolene-[13C3]

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General Information
Catalog: BLP-012295
CAS: 1185234-99-4
Molecular Formula: C11[13C]3H10N4O5
Molecular Weight: 317.28

Chemical Structure

Description	Dantrolene-[13C3] is a labelled Dantrolene. Dantrolene is a muscle relaxant that acts via inhibiting Ca2+ ions release from sarcoplasmic reticulum. Dantrolene is used in the treatment of malignant hyperthermia.
Synonyms	Dantrolene 13C3; 1-{[1-[5-(4-Nitrophenyl)-furan-2-yl]-methylidene]-amino}-imidazolidine-2,4-dione-[2,4,5-13C3]
IUPAC Name	1-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-(2,4,5-13C3)1,3-diazolidine-2,4-dione
Related CAS	7261-97-4 (unlabelled)
Isomeric SMILES	[13CH2]1[13C](=O)N[13C](=O)N1/N=C/C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]
Canonical SMILES	C1C(=O)NC(=O)N1N=CC2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]
InChI	InChI=1S/C14H10N4O5/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)/b15-7+/i8+1,13+1,14+1
InChI Key	OZOMQRBLCMDCEG-VFVCCWAMSA-N
Melting Point	>265°C (dec.)
Purity	95% by HPLC; 98% atom 13C
Density	1.6±0.1 g/cm3
Appearance	Light Yellow to Yellow Solid
Storage	Store at -20°C