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 No supplier information found for this compound.
Download Molfile XML SDF
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