brasofensine maleate (CHEBI:752062)

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CHEBI:752062 - brasofensine maleate

Formula	C4H4O4.C16H20Cl2N2O
Net Charge	0
Average Mass	443.327
Monoisotopic Mass	442.10623
SMILES	O=C(O)/C=C\C(=O)O.[H][C@]12CC[C@]([H])([C@H](/C=N/OC)[C@@H](c3ccc(Cl)c(Cl)c3)C1)N2C
InChI	InChI=1S/C16H20Cl2N2O.C4H4O4/c1-20-11-4-6-16(20)13(9-19-21-2)12(8-11)10-3-5-14(17)15(18)7-10;5-3(6)1-2-4(7)8/h3,5,7,9,11-13,16H,4,6,8H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b19-9+;2-1-/t11-,12+,13+,16+;/m0./s1
InChIKey	XVXRAWKEYKMWFS-YGPNHCCBSA-N

ChEBI Ontology

Outgoing Relation(s)
	brasofensine maleate (CHEBI:752062) has parent hydride tropane (CHEBI:35615)
	brasofensine maleate (CHEBI:752062) is a azabicycloalkane (CHEBI:38295)