CHEBI:188140 - N-(4-acetamidophenyl)-Indomethacin amide

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name N-(4-acetamidophenyl)-Indomethacin amide
ChEBI ID CHEBI:188140
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H24ClN3O4
Net Charge 0
Average Mass 489.960
Monoisotopic Mass 489.14553
InChI InChI=1S/C27H24ClN3O4/c1-16-23(15-26(33)30-21-10-8-20(9-11-21)29-17(2)32)24-14-22(35-3)12-13-25(24)31(16)27(34)18-4-6-19(28)7-5-18/h4-14H,15H2,1-3H3,(H,29,32)(H,30,33)
InChIKey CVMUUPNNEPVQCL-UHFFFAOYSA-N
SMILES ClC1=CC=C(C(=O)N2C(=C(C3=C2C=CC(OC)=C3)CC(=O)NC4=CC=C(NC(=O)C)C=C4)C)C=C1
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing N-(4-acetamidophenyl)-Indomethacin amide (CHEBI:188140) is a N-acylindole (CHEBI:75884)
IUPAC Name
N-(4-acetamidophenyl)-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide
Manual Xref Database
3305343 ChemSpider
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