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

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ChEBI Name (S,S)-asenapine maleate
ChEBI ID CHEBI:71248
ChEBI ASCII Name (S,S)-asenapine maleate
Definition A maleate salt obtained by combining equimolar amounts of (S,S)-asenapine and maleic acid.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C21H20ClNO5
Net Charge 0
Average Mass 401.84000
Monoisotopic Mass 401.10300
InChI InChI=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
InChIKey GMDCDXMAFMEDAG-CHHFXETESA-N
SMILES OC(=O)\C=C/C(O)=O.[H][C@]12CN(C)C[C@]1([H])c1cc(Cl)ccc1Oc1ccccc21
ChEBI Ontology
Outgoing (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 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 Xrefs Databases
EP1710241 Patent
US2007027134 Patent
US5763476 Patent
WO2012066565 Patent
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Last Modified
27 November 2012