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CHEBI:116971 - 2-[[(4-methyl-1-piperazinyl)-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester

ChEBI IDCHEBI:116971
ChEBI Name2-[[(4-methyl-1-piperazinyl)-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester
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DownloadsMolfile
FormulaC16H21N3O4S
Net Charge0
Average Mass351.428
Monoisotopic Mass351.12528
SMILESCOC(=O)c1ccc(C(=O)OC)c(NC(=S)N2CCN(C)CC2)c1
InChIInChI=1S/C16H21N3O4S/c1-18-6-8-19(9-7-18)16(24)17-13-10-11(14(20)22-2)4-5-12(13)15(21)23-3/h4-5,10H,6-9H2,1-3H3,(H,17,24)
InChIKeyMJOUQLXHYGATDU-UHFFFAOYSA-N
Roles Classification
Application:
endocrine disruptor  Any compound that can disrupt the functions of the endocrine (hormone) system
ChEBI Ontology
Outgoing Relation(s)
2-[[(4-methyl-1-piperazinyl)-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester (CHEBI:116971) is a phthalate ester (CHEBI:35484)
Manual XrefsDatabases
LSM-28419LINCS