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CHEBI:131088 - 1-[(3aR,4R,9bR)-8-[2-(4-fluorophenyl)ethynyl]-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-2-methoxyethanone

ChEBI IDCHEBI:131088
ChEBI Name1-[(3aR,4R,9bR)-8-[2-(4-fluorophenyl)ethynyl]-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-2-methoxyethanone
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DownloadsMolfile
FormulaC23H23FN2O3
Net Charge0
Average Mass394.446
Monoisotopic Mass394.16927
SMILESCOCC(=O)N1CC[C@@H]2[C@H](CO)Nc3ccc(C#Cc4ccc(F)cc4)cc3[C@@H]21
InChIInChI=1S/C23H23FN2O3/c1-29-14-22(28)26-11-10-18-21(13-27)25-20-9-6-16(12-19(20)23(18)26)3-2-15-4-7-17(24)8-5-15/h4-9,12,18,21,23,25,27H,10-11,13-14H2,1H3/t18-,21+,23-/m1/s1
InChIKeyBXHWESSKUTYEBR-RZFNWQHOSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(3aR,4R,9bR)-8-[2-(4-fluorophenyl)ethynyl]-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-2-methoxyethanone (CHEBI:131088) is a pyrroloquinoline (CHEBI:50918)
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