Dantrolene sodium hemiheptahydrate (24868-20-0)

The Dantrolene sodium is an organic compound with the formula C₁₄H₉N₄O₅^.Na. The IUPAC name of this chemical is sodium 3-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-5-oxo-4H-imidazol-2-olate. With the CAS registry number 24868-20-0, it is also named as 2,4-Imidazolidinedione, 1-[[(1E)-[5-(4-nitrophenyl)-2-furanyl]methylene]amino]-, sodium salt (1:1). The product's categories are Active Pharmaceutical Ingredients; Bases & Related Reagents; Heterocycles; Intermediates & Fine Chemicals; Nucleotides; Pharmaceuticals. Besides, When you are using it, do not breathe dust and avoid contact with skin and eyes.

Physical properties about Dantrolene sodium are: (1)ACD/LogP: 1.49; (2)ACD/LogD (pH 5.5): -0.66; (3)ACD/LogD (pH 7.4): -0.74; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 9; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 124.22 Å²; (12)Flash Point: 283.1 °C; (13)Enthalpy of Vaporization: 86.63 kJ/mol; (14)Boiling Point: 544.5 °C at 760 mmHg; (15)Vapour Pressure: 1.09E-12 mmHg at 25°C.

Uses of Dantrolene sodium: it is used in the management of neuroleptic malignant syndrome, muscle spasticity (e.g. after strokes, in paraplegia, cerebral palsy, or patients with multiple sclerosis), 3,4-methylenedioxy methylamphetamine ("ecstasy") intoxication, serotonin syndrome, and 2,4-dinitrophenol poisoning.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[O-][N+](=O)c3ccc(c2oc(\C=N\N1C(\[O-])=N/C(=O)C1)cc2)cc3
(2)InChI: InChI=1/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);/q;+1/p-1/b15-7+;
(3)InChIKey: KSRLIXGNPXAZHD-NYLMHYPSBV
(4)Std. 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);/q;+1/p-1/b15-7+;
(5)Std. InChIKey: KSRLIXGNPXAZHD-HAZZGOGXSA-M