resomelagon acetate (CHEBI:759636)

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CHEBI:759636 - resomelagon acetate

Formula	C2H4O2.C14H14N6O2
Net Charge	0
Average Mass	358.358
Monoisotopic Mass	358.13895
SMILES	CC(=O)O.N=C(N)N/N=C/C=C/c1cccn1-c1ccccc1[N+](=O)[O-]
InChI	InChI=1S/C14H14N6O2.C2H4O2/c15-14(16)18-17-9-3-5-11-6-4-10-19(11)12-7-1-2-8-13(12)20(21)22;1-2(3)4/h1-10H,(H4,15,16,18);1H3,(H,3,4)/b5-3+,17-9+;
InChIKey	FIESOFUABUPMMH-WAJHRQJSSA-N

Roles Classification

antirheumatic drug A drug used to treat rheumatoid arthritis.

ChEBI Ontology

Outgoing Relation(s)
	resomelagon acetate (CHEBI:759636) has role antirheumatic drug (CHEBI:35842)
	resomelagon acetate (CHEBI:759636) is a C-nitro compound (CHEBI:35716)