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CHEBI:71248 - (S,S)-asenapine maleate

ChEBI IDCHEBI:71248
ChEBI Name(S,S)-asenapine maleate
Stars
ASCII Name(S,S)-asenapine maleate
DefinitionA maleate salt obtained by combining equimolar amounts of (S,S)-asenapine and maleic acid.
Last Modified27 November 2012
SubmitterSteve
DownloadsMolfile
FormulaC17H16ClNO.C4H4O4
Net Charge0
Average Mass401.846
Monoisotopic Mass401.10300
SMILESO=C(O)/C=C\C(=O)O.[H][C@]12CN(C)C[C@]1([H])c1cc(Cl)ccc1Oc1ccccc12
InChIInChI=1S/C17H16ClNO.C4H4O4/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19;5-3(6)1-2-4(7)8/h2-8,14-15H,9-10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t14-,15-;/m1./s1
InChIKeyGMDCDXMAFMEDAG-CHHFXETESA-N
ChEBI Ontology
Outgoing Relation(s)
(S,S)-asenapine maleate (CHEBI:71248) has part (S,S)-asenapine(1+) (CHEBI:71252)
(S,S)-asenapine maleate (CHEBI:71248) is a maleate salt (CHEBI:50221)
(S,S)-asenapine maleate (CHEBI:71248) is enantiomer of (R,R)-asenapine maleate (CHEBI:71246)
Incoming Relation(s)
asenapine maleate (CHEBI:71245) has part (S,S)-asenapine maleate (CHEBI:71248)
(R,R)-asenapine maleate (CHEBI:71246) is enantiomer of (S,S)-asenapine maleate (CHEBI:71248)
Manual XrefsDatabases
WO2012066565Patent
US2007027134Patent
EP1710241Patent
US5763476Patent