EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:195334 - 7-diethylamino-3-(4-maleimidophenyl)-4-methylcoumarin

ChEBI IDCHEBI:195334
ChEBI Name7-diethylamino-3-(4-maleimidophenyl)-4-methylcoumarin
Stars
DefinitionA member of the class of coumarins that is 2H-chromen-2-one substituted by 4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl, methyl, and diethylamino groups at positions 3, 4 and 7, respectively. It is a thiol-reactive fluorescent dye.
Last Modified5 July 2023
SubmitterSandra Orchard
DownloadsMolfile
FormulaC24H22N2O4
Net Charge0
Average Mass402.450
Monoisotopic Mass402.15796
SMILESCCN(CC)c1ccc2c(C)c(-c3ccc(N4C(=O)C=CC4=O)cc3)c(=O)oc2c1
InChIInChI=1S/C24H22N2O4/c1-4-25(5-2)18-10-11-19-15(3)23(24(29)30-20(19)14-18)16-6-8-17(9-7-16)26-21(27)12-13-22(26)28/h6-14H,4-5H2,1-3H3
InChIKeyYGIABALXNBVHBX-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Application:
ChEBI Ontology
Outgoing Relation(s)
7-diethylamino-3-(4-maleimidophenyl)-4-methylcoumarin (CHEBI:195334) has role fluorescent dye (CHEBI:51121)
7-diethylamino-3-(4-maleimidophenyl)-4-methylcoumarin (CHEBI:195334) is a benzenes (CHEBI:22712)
7-diethylamino-3-(4-maleimidophenyl)-4-methylcoumarin (CHEBI:195334) is a coumarins (CHEBI:23403)
7-diethylamino-3-(4-maleimidophenyl)-4-methylcoumarin (CHEBI:195334) is a maleimides (CHEBI:55417)
7-diethylamino-3-(4-maleimidophenyl)-4-methylcoumarin (CHEBI:195334) is a tertiary amino compound (CHEBI:50996)
IUPAC Name 
1-{4-[7-(diethylamino)-4-methyl-2-oxo-2H-chromen-3-yl]phenyl}-1H-pyrrole-2,5-dione
Synonyms  Source
CPMSUBMITTER
1-{4-[7-(diethylamino)-4-methyl-2-oxo-2H-1-benzopyran-3-yl]phenyl}-1H-pyrrole-2,5-dioneIUPAC
7-diethylamino-3-(4'-maleimidylphenyl)-4-methylcoumarinChEBI
1-[4-[7-(diethylamino)-4-methyl-2-oxo-2H-1-benzopyran-3-yl]phenyl]-1H-pyrrole-2,5-dioneChEBI
1-[4-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]phenyl]pyrrole-2,5-dioneChEBI
N-(4-(7-diethylamino-4-methylcoumarin-3-yl)phenyl)maleimideChEBI
Manual XrefsDatabases
108859ChemSpider
Registry NumbersSources
CAS:76877-33-3SUBMITTER
Citations