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CHEBI:104159 - 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[[(4-methylphenyl)thio]methyl]-3-indolecarboxylic acid ethyl ester

ChEBI IDCHEBI:104159
ChEBI Name6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[[(4-methylphenyl)thio]methyl]-3-indolecarboxylic acid ethyl ester
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DownloadsMolfile
FormulaC23H27BrN2O3S
Net Charge0
Average Mass491.451
Monoisotopic Mass490.09258
SMILESCCOC(=O)c1c(CSc2ccc(C)cc2)n(C)c2cc(Br)c(O)c(CN(C)C)c12
InChIInChI=1S/C23H27BrN2O3S/c1-6-29-23(28)21-19(13-30-15-9-7-14(2)8-10-15)26(5)18-11-17(24)22(27)16(20(18)21)12-25(3)4/h7-11,27H,6,12-13H2,1-5H3
InChIKeyVLSGAOYACVQQIC-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[[(4-methylphenyl)thio]methyl]-3-indolecarboxylic acid ethyl ester (CHEBI:104159) is a indolyl carboxylic acid (CHEBI:46867)
Manual XrefsDatabases
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