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CHEBI:231476 - NMDI14

ChEBI IDCHEBI:231476
ChEBI NameNMDI14
Stars
DefinitionA quinoxaline derivative that is 6,7-dimethyl-1,2,3,4-tetrahydroquinoxaline substituted by 2-{[3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]amino}-2-oxoethyl and oxo groups at positions 2 and 3, respectively. It is a nonsense-mediated mRNA decay (NMD) inhibitor.
Last Modified30 May 2024
Submitterdoughowe
DownloadsMolfile
FormulaC21H25N3O4S
Net Charge0
Average Mass415.515
Monoisotopic Mass415.15658
SMILESCCOC(=O)c1c(NC(=O)CC2Nc3cc(C)c(C)cc3NC2=O)sc(C)c1C
InChIInChI=1S/C21H25N3O4S/c1-6-28-21(27)18-12(4)13(5)29-20(18)24-17(25)9-16-19(26)23-15-8-11(3)10(2)7-14(15)22-16/h7-8,16,22H,6,9H2,1-5H3,(H,23,26)(H,24,25)
InChIKeyQRLPSNLBUMVXBL-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
NMDI14 (CHEBI:231476) is a ethyl ester (CHEBI:23990)
NMDI14 (CHEBI:231476) is a quinoxaline derivative (CHEBI:38771)
NMDI14 (CHEBI:231476) is a secondary carboxamide (CHEBI:140325)
NMDI14 (CHEBI:231476) is a thiophenes (CHEBI:26961)
IUPAC Name 
ethyl 2-[2-(6,7-dimethyl-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamido]-4,5-dimethylthiophene-3-carboxylate
Registry NumbersSources
CAS:307519-88-6ChEBI
Citations