EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:78012 - 1-(3,6-dibromocarbazol-9-yl)-3-(dimethylamino)propan-2-ol

ChEBI IDCHEBI:78012
ChEBI Name1-(3,6-dibromocarbazol-9-yl)-3-(dimethylamino)propan-2-ol
Stars
DefinitionA member of the class of carbazoles that is 1-(carbazol-9-yl)-3-(dimethylamino)propan-2-ol bearing two additional bromo substituents at positions 3 and 6 on the carbazole ring system.
Last Modified24 February 2016
SubmitterSteve
DownloadsMolfile
FormulaC17H18Br2N2O
Net Charge0
Average Mass426.152
Monoisotopic Mass423.97859
SMILESCN(C)CC(O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21
InChIInChI=1S/C17H18Br2N2O/c1-20(2)9-13(22)10-21-16-5-3-11(18)7-14(16)15-8-12(19)4-6-17(15)21/h3-8,13,22H,9-10H2,1-2H3
InChIKeyXUBJEDZHBUPBKL-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)
1-(3,6-dibromocarbazol-9-yl)-3-(dimethylamino)propan-2-ol (CHEBI:78012) is a carbazoles (CHEBI:48513)
1-(3,6-dibromocarbazol-9-yl)-3-(dimethylamino)propan-2-ol (CHEBI:78012) is a organobromine compound (CHEBI:37141)
1-(3,6-dibromocarbazol-9-yl)-3-(dimethylamino)propan-2-ol (CHEBI:78012) is a secondary alcohol (CHEBI:35681)
1-(3,6-dibromocarbazol-9-yl)-3-(dimethylamino)propan-2-ol (CHEBI:78012) is a tertiary amino compound (CHEBI:50996)
Incoming Relation(s)
(R)-wiskostatin (CHEBI:78010) is a 1-(3,6-dibromocarbazol-9-yl)-3-(dimethylamino)propan-2-ol (CHEBI:78012)
(S)-wiskostatin (CHEBI:78011) is a 1-(3,6-dibromocarbazol-9-yl)-3-(dimethylamino)propan-2-ol (CHEBI:78012)
IUPAC Name 
1-(3,6-dibromo-9H-carbazol-9-yl)-3-(dimethylamino)propan-2-ol
Manual XrefsDatabases
LSM-1364LINCS