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Dantrolene

Properties

Image

Occurences in reactions

MNX_ID

MNXM48748

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₁₄H₁₀N₄O₅

charge

mass

314.06512

reference

InChIKey

OZOMQRBLCMDCEG-VIZOYTHASA-N

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)/b15-7+

SMILES

O=C1CN(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
seed.compound:cpd04272 seedM:cpd04272 kegg.compound:C06939 keggC:C06939	Dantrolene
kegg.drug:D02347 keggD:D02347	Dantrolene (USAN/INN)
hmdb:HMDB0015350	Dantrolene 1-((5-(p-Nitrophenyl)furfurylidene)amino)hydantoin 1-({[5-(4-nitrophenyl)furan-2-yl]methylidene}amino)imidazolidine-2,4-dione Dantroleno Dantrolenum sodium, dantrolene
CHEBI:59697 chebi:59697	dantrolene(1-) 1-((5-(p-nitrophenyl)furfurylidene)amino)hydantoin anion 3-({[5-(4-nitrophenyl)furan-2-yl]methylidene}amino)-2,5-dioxoimidazolidin-1-ide dantrolene anion
CHEBI:4317 chebi:4317	dantrolene 1-((5-(p-nitrophenyl)furfurylidene)amino)hydantoin 1-({[5-(4-nitrophenyl)furan-2-yl]methylidene}amino)imidazolidine-2,4-dione Dantrolene dantroleno dantrolenum
hmdb:HMDB15350 keggC:M_C06939 keggD:M_D02347 seedM:M_cpd04272	secondary/obsolete/fantasy identifier