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CHEBI:31698 - Indomethacin farnesil

ChEBI IDCHEBI:31698
ChEBI NameIndomethacin farnesil
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaC34H40ClNO4
Net Charge0
Average Mass562.150
Monoisotopic Mass561.26459
SMILESCOc1ccc2c(c1)c(CC(=O)OC/C=C(\C)CC/C=C(\C)CCC=C(C)C)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C34H40ClNO4/c1-23(2)9-7-10-24(3)11-8-12-25(4)19-20-40-33(37)22-30-26(5)36(32-18-17-29(39-6)21-31(30)32)34(38)27-13-15-28(35)16-14-27/h9,11,13-19,21H,7-8,10,12,20,22H2,1-6H3/b24-11+,25-19+
InChIKeyCFIGYZZVJNJVDQ-LMJOQDENSA-N
ChEBI Ontology
Outgoing Relation(s)
Indomethacin farnesil (CHEBI:31698) is a N-acylindole (CHEBI:75884)
Synonyms  Source
Indomethacin farnesilKEGG COMPOUND
Indometacin farnesilKEGG COMPOUND
Infree (TN)KEGG COMPOUND
Manual XrefsDatabases
D01565KEGG DRUG
Registry NumbersSources
CAS:85801-02-1KEGG COMPOUND