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CHEBI:128391 - (1R)-1'-[(3-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-N-propyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide

ChEBI IDCHEBI:128391
ChEBI Name(1R)-1'-[(3-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-N-propyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide
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DownloadsMolfile
FormulaC26H31FN4O3
Net Charge0
Average Mass466.557
Monoisotopic Mass466.23802
SMILESCCCNC(=O)N1CC2(CN(Cc3cccc(F)c3)C2)c2c(nc3cc(OC)ccc23)[C@@H]1CO
InChIInChI=1S/C26H31FN4O3/c1-3-9-28-25(33)31-16-26(14-30(15-26)12-17-5-4-6-18(27)10-17)23-20-8-7-19(34-2)11-21(20)29-24(23)22(31)13-32/h4-8,10-11,22,29,32H,3,9,12-16H2,1-2H3,(H,28,33)/t22-/m0/s1
InChIKeyWLJAXZCEIQXDRN-QFIPXVFZSA-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)
(1R)-1'-[(3-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-N-propyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide (CHEBI:128391) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-39946LINCS