azumolene (CHEBI:143225)

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:143225 - azumolene

ChEBI ID	CHEBI:143225
ChEBI Name	azumolene
Stars
Definition	A 1,3-oxazole which is substituted by a [(2,4-dioxoimidazolidin-1-yl)imino]methyl group at position 2 and a 4-bromophenyl group at position 5. It is a muscle relaxant used for the treatment/prevention of malignant hyperthermia.
Last Modified	11 March 2019
Submitter	Adnan
Downloads	Molfile

Formula	C13H9BrN4O3
Net Charge	0
Average Mass	349.144
Monoisotopic Mass	347.98580
SMILES	O=C1CN(N=Cc2ncc(-c3ccc(Br)cc3)o2)C(=O)N1
InChI	InChI=1S/C13H9BrN4O3/c14-9-3-1-8(2-4-9)10-5-15-12(21-10)6-16-18-7-11(19)17-13(18)20/h1-6H,7H2,(H,17,19,20)
InChIKey	SEGCNGONCZQFDW-UHFFFAOYSA-N

Roles Classification

Biological Role:

ryanodine receptor modulator

Application:

muscle relaxant A drug used to produce muscle relaxation (excepting neuromuscular blocking agents). Its primary clinical and therapeutic use is the treatment of muscle spasm and immobility associated with strains, sprains, and injuries of the back and, to a lesser degree, injuries to the neck. Also used for the treatment of a variety of clinical conditions that have in common only the presence of skeletal muscle hyperactivity, for example, the muscle spasms that can occur in multiple sclerosis.

ChEBI Ontology

Outgoing Relation(s)
	azumolene (CHEBI:143225) has role muscle relaxant (CHEBI:51371)
	azumolene (CHEBI:143225) has role ryanodine receptor modulator (CHEBI:38809)
	azumolene (CHEBI:143225) is a 1,3-oxazoles (CHEBI:46812)
	azumolene (CHEBI:143225) is a bromobenzenes (CHEBI:37149)
	azumolene (CHEBI:143225) is a imidazolidine-2,4-dione (CHEBI:24628)
	azumolene (CHEBI:143225) is conjugate acid of azumolene(1−) (CHEBI:143232)
Incoming Relation(s)
Incoming Relation(s)	azumolene(1−) (CHEBI:143232) is conjugate base of azumolene (CHEBI:143225)

IUPAC Name
1-({[5-(4-bromophenyl)-1,3-oxazol-2-yl]methylidene}amino)imidazolidine-2,4-dione

INNs	Source
azumoléne	WHO MedNet
azumolenum	WHO MedNet
azumolene	WHO MedNet
azumoleno	WHO MedNet

Synonym	Source
1-[[[5-(4-bromophenyl)-2-oxazolyl]methylene]amino]hydantoin	ChEBI

Manual Xrefs	Databases
US4861790	Patent
WO2009152205	Patent

Registry Numbers	Sources
CAS:64748-79-4	ChemIDplus

Citations