$SMIG<;./mol2smi;4.51-16Oct1997;>
|
$SMI<O=C1CN(N=Cc2ccc(o2)c3ccc(cc3)N(=O)=O)C(=O)N1>
$ISM<O=C1CN(N=Cc2ccc(o2)c3ccc(cc3)N(=O)=O)C(=O)N1>
	REM<Isomeric parent of 0507>
	PAMW<314.26>
	PMF<C14H10N4O5>
$IDCODE<0507>

	ISM<[Na+].[O-][N+](=O)c1ccc(cc1)c2ccc(C=NN3CC(=O)[N-]C3=O)o2>
	2D<9.76,-5.53,2.65,-2.39,2.65,-3.14,2.00,-3.52,3.30,-3.52,3.95,-3.14,4.60,-3.52,4.60,-4.26,3.95,-4.64,3.30,-4.26,5.24,-4.64,5.24,-5.39,5.96,-5.62,6.40,-5.02,7.14,-5.04,7.53,-4.39,8.28,-4.40,8.78,-3.84,9.47,-4.15,10.13,-3.78,9.39,-4.89,8.65,-5.05,8.35,-5.74,5.96,-4.41;>
	Catalogue_No<0507>
	Compound_Name<Dantrolene sodium salt>
	CAS_Number<7261-97-4>
	Activity<Inhibits release of Ca++ from sarcoplasmic reticulum, thus protecting against the effects of a variety of of conditions and agents, including exitatory amino acids. Skeletal muscle relaxant.>
	AMW<336.24>
	MF<C14H9N4NaO5>
	SUPP<S58>
|