CHEBI:90369 - 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
ChEBI ID CHEBI:90369
ChEBI ASCII Name 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
Definition A member of the class of carbazoles that is 2,3,4,9-tetrahydro-1H-carbazole which is substituted at position 1 by an aminocarbohyl group and at position 6 by a chlorine.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C13H13ClN2O
Net Charge 0
Average Mass 248.709
Monoisotopic Mass 248.07164
InChI InChI=1S/C13H13ClN2O/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(15)17)12(8)16-11/h4-6,9,16H,1-3H2,(H2,15,17)
InChIKey FUZYTVDVLBBXDL-UHFFFAOYSA-N
SMILES N1C2=C(C3=C1C(CCC3)C(=O)N)C=C(C=C2)Cl
ChEBI Ontology
Outgoing 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide (CHEBI:90369) is a carbazoles (CHEBI:48513)
6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide (CHEBI:90369) is a monocarboxylic acid amide (CHEBI:29347)
6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide (CHEBI:90369) is a organochlorine compound (CHEBI:36683)
Incoming (R)-selisistat (CHEBI:90370) is a 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide (CHEBI:90369)
(S)-selisistat (CHEBI:90371) is a 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide (CHEBI:90369)
IUPAC Name
6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
Manual Xref Database
LSM-36370 LINCS
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Last Modified
26 February 2016
General Comment
2015-11-13 This is the entry for material with unspecified configuration. There are separate entries for the individual enantiomers [(R)-selisistat, (S)-selisistat] and for the racemate (selisistat).