Dantrolene sodium, ryanodine receptor antagonist

Key facts

CAS number

14663-23-1

Purity

>98%

Form

Solid

form

Molecular weight

336.23 Da

Molecular formula

C₁₄H₉N₄NaO₅

PubChem

6604100

Nature

Synthetic

Solubility

Soluble in water to 5 mM with warming

Soluble in DMSO to 10 mM

Biochemical name

Dantrolene sodium

Biological description

Ryanodine receptor antagonist. Calcium channel inhibitor. Reduces calcium flux across the sarcoplasmic reticulum. Displays selectivity for RYR1 and RYR3 over RYR2. Crosses the blood-brain barrier and active in vivo.

Canonical smiles

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

Isomeric smiles

C1C(=NC(=O)N1/N=C/C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])[O-].[Na+]

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+;

InChiKey

KSRLIXGNPXAZHD-HAZZGOGXSA-M

IUPAC Name

sodium;3-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-oxo-4H-imidazol-5-olate