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CHEBI:71255 - 5-chloro-2-methyl-2,3,3a,12b-tetrahydrodibenzo[2,3:6,7]oxepino[4,5-c]pyrrole

ChEBI IDCHEBI:71255
ChEBI Name5-chloro-2-methyl-2,3,3a,12b-tetrahydrodibenzo[2,3:6,7]oxepino[4,5-c]pyrrole
Stars
ASCII Name5-chloro-2-methyl-2,3,3a,12b-tetrahydrodibenzo[2,3:6,7]oxepino[4,5-c]pyrrole
DefinitionAn organic heterotetracyclic compound that is 2,3,3a,12b-tetrahydrodibenzo[2,3:6,7]oxepino[4,5-c]pyrrole bearing methyl and chloro substituents at positions 2 and 5 respectively.
Last Modified27 November 2012
SubmitterSteve
DownloadsMolfile
FormulaC17H16ClNO
Net Charge0
Average Mass285.774
Monoisotopic Mass285.09204
SMILESCN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1
InChIInChI=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
InChIKeyVSWBSWWIRNCQIJ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
5-chloro-2-methyl-2,3,3a,12b-tetrahydrodibenzo[2,3:6,7]oxepino[4,5-c]pyrrole (CHEBI:71255) is a cyclic ether (CHEBI:37407)
5-chloro-2-methyl-2,3,3a,12b-tetrahydrodibenzo[2,3:6,7]oxepino[4,5-c]pyrrole (CHEBI:71255) is a organic heterotetracyclic compound (CHEBI:38163)
5-chloro-2-methyl-2,3,3a,12b-tetrahydrodibenzo[2,3:6,7]oxepino[4,5-c]pyrrole (CHEBI:71255) is a organochlorine compound (CHEBI:36683)
5-chloro-2-methyl-2,3,3a,12b-tetrahydrodibenzo[2,3:6,7]oxepino[4,5-c]pyrrole (CHEBI:71255) is a tertiary amino compound (CHEBI:50996)
Incoming Relation(s)
(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)
(S,S)-asenapine (CHEBI:71257) is a 5-chloro-2-methyl-2,3,3a,12b-tetrahydrodibenzo[2,3:6,7]oxepino[4,5-c]pyrrole (CHEBI:71255)
IUPAC Name 
5-chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrole