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CHEBI:104075 - 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(thiophen-2-ylthio)methyl]-3-indolecarboxylic acid ethyl ester

ChEBI IDCHEBI:104075
ChEBI Name6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(thiophen-2-ylthio)methyl]-3-indolecarboxylic acid ethyl ester
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DownloadsMolfile
FormulaC20H23BrN2O3S2
Net Charge0
Average Mass483.453
Monoisotopic Mass482.03335
SMILESCCOC(=O)c1c(CSc2cccs2)n(C)c2cc(Br)c(O)c(CN(C)C)c12
InChIInChI=1S/C20H23BrN2O3S2/c1-5-26-20(25)18-15(11-28-16-7-6-8-27-16)23(4)14-9-13(21)19(24)12(17(14)18)10-22(2)3/h6-9,24H,5,10-11H2,1-4H3
InChIKeyNZDNHRDPEYHJMS-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-[(thiophen-2-ylthio)methyl]-3-indolecarboxylic acid ethyl ester (CHEBI:104075) is a indolyl carboxylic acid (CHEBI:46867)
Manual XrefsDatabases
LSM-15433LINCS