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CHEBI:71246 - (R,R)-asenapine maleate

ChEBI IDCHEBI:71246
ChEBI Name(R,R)-asenapine maleate
Stars
ASCII Name(R,R)-asenapine maleate
DefinitionA maleate salt obtained by combining equimolar amounts of (R,R)-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-;/m0./s1
InChIKeyGMDCDXMAFMEDAG-TXUHOWFZSA-N
ChEBI Ontology
Outgoing Relation(s)
(R,R)-asenapine maleate (CHEBI:71246) has part (R,R)-asenapine(1+) (CHEBI:71251)
(R,R)-asenapine maleate (CHEBI:71246) is a maleate salt (CHEBI:50221)
(R,R)-asenapine maleate (CHEBI:71246) is enantiomer of (S,S)-asenapine maleate (CHEBI:71248)
Incoming Relation(s)
asenapine maleate (CHEBI:71245) has part (R,R)-asenapine maleate (CHEBI:71246)
(S,S)-asenapine maleate (CHEBI:71248) is enantiomer of (R,R)-asenapine maleate (CHEBI:71246)
IUPAC Names 
(3aR,12bR)-5-chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrole (2Z)-but-2-enedioate
(3aR,12bR)-5-chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrol-2-ium (2Z)-3-prop-2-enoate