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CHEBI:142131 - 8-(2-carboxyethyl)-2,7-dimethyl-3-vinyl-9-{2-[2-(ethoxycarbonyl)phenyl]diazenyl}dipyrrin-1(10H)-one

ChEBI IDCHEBI:142131
ChEBI Name8-(2-carboxyethyl)-2,7-dimethyl-3-vinyl-9-{2-[2-(ethoxycarbonyl)phenyl]diazenyl}dipyrrin-1(10H)-one
Stars
ASCII Name8-(2-carboxyethyl)-2,7-dimethyl-3-vinyl-9-{2-[2-(ethoxycarbonyl)phenyl]diazenyl}dipyrrin-1(10H)-one
DefinitionA synthetic dipyrrin derived from rings A and D of bilirubin IXα in which C-9 carries a 2-[2-(ethoxycarbonyl)phenyl]diazenyl substituent.
Last Modified25 August 2023
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC25H26N4O5
Net Charge0
Average Mass462.506
Monoisotopic Mass462.19032
SMILES[H]/C(=C1/NC(=O)C(C)=C1C=C)c1nc(N=Nc2ccccc2C(=O)OCC)c(CCC(=O)O)c1C
InChIInChI=1S/C25H26N4O5/c1-5-16-15(4)24(32)27-21(16)13-20-14(3)17(11-12-22(30)31)23(26-20)29-28-19-10-8-7-9-18(19)25(33)34-6-2/h5,7-10,13,26H,1,6,11-12H2,2-4H3,(H,27,32)(H,30,31)/b21-13-,29-28?
InChIKeyUAQQFXVYJQYYLP-KPGQUCGCSA-N
ChEBI Ontology
Outgoing Relation(s)
8-(2-carboxyethyl)-2,7-dimethyl-3-vinyl-9-{2-[2-(ethoxycarbonyl)phenyl]diazenyl}dipyrrin-1(10H)-one (CHEBI:142131) is a dipyrrins (CHEBI:36749)
8-(2-carboxyethyl)-2,7-dimethyl-3-vinyl-9-{2-[2-(ethoxycarbonyl)phenyl]diazenyl}dipyrrin-1(10H)-one (CHEBI:142131) is a monoazo compound (CHEBI:48959)
IUPAC Name 
3-(5-[(Z)-(3-ethenyl-4-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-2-{[2-(ethoxycarbonyl)phenyl]diazenyl}-4-methyl-1H-pyrrol-3-yl)propanoic acid
Synonyms  Source
3-{5-[(Z)-(4-methyl-5-oxo-3-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-2-[2-(ethoxycarbonyl)phenyldiazenyl]-1H-pyrrol-3-yl}propionic acidIUPAC
ethyl anthranilate azopigmentChEBI
Citations