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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

ChEBI IDCHEBI:126068
ChEBI Name1-[(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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DownloadsMolfile
FormulaC22H25F2N3O2
Net Charge0
Average Mass401.457
Monoisotopic Mass401.19148
SMILESCN(C)CC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1cc(F)ccc1F
InChIInChI=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
InChIKeyLWBYNKVXAWZHSQ-URVUXULASA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
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