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CHEBI:127043 - (1S)-N-(2,4-difluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide

ChEBI IDCHEBI:127043
ChEBI Name(1S)-N-(2,4-difluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide
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DownloadsMolfile
FormulaC25H28F2N4O3
Net Charge0
Average Mass470.520
Monoisotopic Mass470.21295
SMILESCOc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CCN(C(=O)Nc2ccc(F)cc2F)CC1
InChIInChI=1S/C25H28F2N4O3/c1-30-21-12-16(34-2)4-5-17(21)22-23(30)20(13-32)28-14-25(22)7-9-31(10-8-25)24(33)29-19-6-3-15(26)11-18(19)27/h3-6,11-12,20,28,32H,7-10,13-14H2,1-2H3,(H,29,33)/t20-/m1/s1
InChIKeyPMKCOENNFNFKHO-HXUWFJFHSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
(1S)-N-(2,4-difluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide (CHEBI:127043) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
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