CHEBI:71251 - (R,R)-asenapine(1+)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (R,R)-asenapine(1+)
ChEBI ID CHEBI:71251
ChEBI ASCII Name (R,R)-asenapine(1+)
Definition An organic cation that is the conjugate acid of (R,R)-asenapine, obtained by protonation of the tertiary amino group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C17H17ClNO
Net Charge +1
Average Mass 286.77600
Monoisotopic Mass 286.09932
InChI InChI=1S/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3/p+1/t14-,15-/m0/s1
InChIKey VSWBSWWIRNCQIJ-GJZGRUSLSA-O
SMILES [H][C@@]12C[NH+](C)C[C@@]1([H])c1cc(Cl)ccc1Oc1ccccc21
ChEBI Ontology
Outgoing (R,R)-asenapine(1+) (CHEBI:71251) is a ammonium ion derivative (CHEBI:35274)
(R,R)-asenapine(1+) (CHEBI:71251) is a organic cation (CHEBI:25697)
(R,R)-asenapine(1+) (CHEBI:71251) is conjugate acid of (R,R)-asenapine (CHEBI:71256)
(R,R)-asenapine(1+) (CHEBI:71251) is enantiomer of (S,S)-asenapine(1+) (CHEBI:71252)
Incoming (R,R)-asenapine maleate (CHEBI:71246) has part (R,R)-asenapine(1+) (CHEBI:71251)
asenapine(1+) (CHEBI:71249) has part (R,R)-asenapine(1+) (CHEBI:71251)
(R,R)-asenapine (CHEBI:71256) is conjugate base of (R,R)-asenapine(1+) (CHEBI:71251)
(S,S)-asenapine(1+) (CHEBI:71252) is enantiomer of (R,R)-asenapine(1+) (CHEBI:71251)
IUPAC Name
(3aR,12bR)-5-chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrol-2-ium
Synonym Source
(R,R)-asenapine cation ChEBI
Last Modified
27 November 2012