CHEBI:71256 - (R,R)-asenapine

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ChEBI Name (R,R)-asenapine
ChEBI ID CHEBI:71256
ChEBI ASCII Name (R,R)-asenapine
Definition A 5-chloro-2-methyl-2,3,3a,12b-tetrahydrodibenzo[2,3:6,7]oxepino[4,5-c]pyrrole in which both of the stereocentres have R configuration.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C17H16ClNO
Net Charge 0
Average Mass 285.76800
Monoisotopic Mass 285.09204
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/t14-,15-/m0/s1
InChIKey VSWBSWWIRNCQIJ-GJZGRUSLSA-N
SMILES [H][C@@]12CN(C)C[C@@]1([H])c1cc(Cl)ccc1Oc1ccccc21
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing (R,R)-asenapine (CHEBI:71256) is a 5-chloro-2-methyl-2,3,3a,12b-tetrahydrodibenzo[2,3:6,7]oxepino[4,5-c]pyrrole (CHEBI:71255)
(R,R)-asenapine (CHEBI:71256) is conjugate base of (R,R)-asenapine(1+) (CHEBI:71251)
(R,R)-asenapine (CHEBI:71256) is enantiomer of (S,S)-asenapine (CHEBI:71257)
Incoming asenapine (CHEBI:71253) has part (R,R)-asenapine (CHEBI:71256)
(R,R)-asenapine(1+) (CHEBI:71251) is conjugate acid of (R,R)-asenapine (CHEBI:71256)
(S,S)-asenapine (CHEBI:71257) is enantiomer of (R,R)-asenapine (CHEBI:71256)
IUPAC Name
(3aR,12bR)-5-chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrole
Manual Xref Database
LSM-5679 LINCS
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Last Modified
25 February 2016