CHEBI:126068 - 1-[(1R,2aS,8bS)-2-[(2,5-difluorophenyl)methyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-2-(dimethylamino)ethanone

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ChEBI Name 1-[(1R,2aS,8bS)-2-[(2,5-difluorophenyl)methyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-2-(dimethylamino)ethanone ChEBI ID CHEBI:126068 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C22H25F2N3O2 Net Charge 0 Average Mass 401.450 Monoisotopic Mass 401.19148 InChI InChI=1S/C22H25F2N3O2/c1-25(2)12-21(29)27-11-19-22(16-5-3-4-6-18(16)27)20(13-28)26(19)10-14-9-15(23)7-8-17(14)24/h3-9,19-20,22,28H,10-13H2,1-2H3/t19-,20+,22+/m1/s1 InChIKey LWBYNKVXAWZHSQ-URVUXULASA-N SMILES CN(C)CC(=O)N1C[C@@H]2[C@@H]([C@@H](N2CC3=C(C=CC(=C3)F)F)CO)C4=CC=CC=C41 Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) View more via ChEBI Ontology ChEBI Ontology Outgoing 1-[(1R,2aS,8bS)-2-[(2,5-difluorophenyl)methyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-2-(dimethylamino)ethanone (CHEBI:126068) is a aminoquinoline (CHEBI:36709) Manual Xref Database LSM-37635 LINCS View more database links