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CHEBI:78011 - (S)-wiskostatin

ChEBI IDCHEBI:78011
ChEBI Name(S)-wiskostatin
Stars
ASCII Name(S)-wiskostatin
DefinitionA 1-(3,6-dibromocarbazol-9-yl)-3-(dimethylamino)propan-2-ol that is the (S)-enantiomer of wiskostatin.
Last Modified13 October 2014
SubmitterSteve
DownloadsMolfile
FormulaC17H18Br2N2O
Net Charge0
Average Mass426.152
Monoisotopic Mass423.97859
SMILESCN(C)C[C@H](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/t13-/m0/s1
InChIKeyXUBJEDZHBUPBKL-ZDUSSCGKSA-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)
(S)-wiskostatin (CHEBI:78011) is a 1-(3,6-dibromocarbazol-9-yl)-3-(dimethylamino)propan-2-ol (CHEBI:78012)
Incoming Relation(s)
wiskostatin (CHEBI:78008) has part (S)-wiskostatin (CHEBI:78011)
IUPAC Name 
(2S)-1-(3,6-dibromo-9H-carbazol-9-yl)-3-(dimethylamino)propan-2-ol
Manual XrefsDatabases
DB01731DrugBank
Registry NumbersSources
Reaxys:20926066Reaxys