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Common name


Dantrolene

IUPAC name


1-({[5-(4-nitrophenyl)furan-2-yl]methylidene}amino)imidazolidine-2,4-dione

SMILES


[O-][N+](=O)C1=CC=C(C=C1)C1=CC=C(O1)C=NN1CC(=O)NC1=O

Compound class


Muscle Relaxants, Central; Musculo-Skeletal System; Muscle Relaxants; Dantrolene and Derivatives; Muscle Relaxants, Directly Acting Agents; CYP3A4 Inhibitors;

Therapeutic area


For use along with appropriate supportive measures for the management of the fulminant hypermetabolism of skeletal muscle characteristic of malignant hyperthermia crises in patients of all ages. Also used preoperatively, and sometimes postoperatively, to prevent or attenuate the development of clinical and laboratory signs of malignant hyperthermia in individuals judged to be malignant hyperthermia susceptible.

Common name


Dantrolene

IUPAC name


1-({[5-(4-nitrophenyl)furan-2-yl]methylidene}amino)imidazolidine-2,4-dione

SMILES


[O-][N+](=O)C1=CC=C(C=C1)C1=CC=C(O1)C=NN1CC(=O)NC1=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)

FORMULA


C14H10N4O5

Responsive image

Common name


Dantrolene

IUPAC name


1-({[5-(4-nitrophenyl)furan-2-yl]methylidene}amino)imidazolidine-2,4-dione

Molecular weight


314.253

clogP


0.949

clogS


-3.299

HBond Acceptor


6

HBond Donor


1

Total Polar
Surface Area


126.72

Number of Rings


3

Rotatable Bond


4

Drug ID Common name Structure CAS SMILE Frequency
FDBF00537 imidazole-2,4-dione Responsive image O=C1NC(=O)N=C1 0.0021
FDBF00779 nitrobenzene Responsive image O=N(=O)c1ccccc1 0.0134
FDBF01001 furan Responsive image o1cccc1 0.0079
FDBF02766 2-furylmethanimine Responsive image N=Cc1occc1 0.0007
4 , 1