CHEBI:78011 - (S)-wiskostatin

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ChEBI Name (S)-wiskostatin ChEBI ID CHEBI:78011 ChEBI ASCII Name (S)-wiskostatin Definition A 1-(3,6-dibromocarbazol-9-yl)-3-(dimethylamino)propan-2-ol that is the (S)-enantiomer of wiskostatin. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C17H18Br2N2O Net Charge 0 Average Mass 426.14600 Monoisotopic Mass 423.97859 InChI InChI=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 InChIKey XUBJEDZHBUPBKL-ZDUSSCGKSA-N SMILES CN(C)C[C@H](O)Cn1c2ccc(Br)cc2c2cc(Br)ccc12 Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) View more via ChEBI Ontology ChEBI Ontology Outgoing (S)-wiskostatin (CHEBI:78011) is a 1-(3,6-dibromocarbazol-9-yl)-3-(dimethylamino)propan-2-ol (CHEBI:78012) Incoming 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 Xref Database DB01731 DrugBank View more database links Registry Number Type Source 20926066 Reaxys Registry Number Reaxys Last Modified 13 October 2014