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CHEBI:134727 - simetride

ChEBI IDCHEBI:134727
ChEBI Namesimetride
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC28H38N2O6
Net Charge0
Average Mass498.620
Monoisotopic Mass498.27299
SMILESCCCc1ccc(OCC(=O)N2CCN(C(=O)COc3ccc(CCC)cc3OC)CC2)c(OC)c1
InChIInChI=1S/C28H38N2O6/c1-5-7-21-9-11-23(25(17-21)33-3)35-19-27(31)29-13-15-30(16-14-29)28(32)20-36-24-12-10-22(8-6-2)18-26(24)34-4/h9-12,17-18H,5-8,13-16,19-20H2,1-4H3
InChIKeyIMOLVSPMDGCLMB-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
simetride (CHEBI:134727) is a alkylbenzene (CHEBI:38976)
Manual XrefsDatabases
4883DrugCentral
Registry NumbersSources
CAS:154-82-5DrugCentral