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CHEBI:131122 - 1-[(1S,2aR,8bR)-1-(hydroxymethyl)-2-(3-pyridinylmethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-3,3,3-trifluoro-1-propanone

ChEBI IDCHEBI:131122
ChEBI Name1-[(1S,2aR,8bR)-1-(hydroxymethyl)-2-(3-pyridinylmethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-3,3,3-trifluoro-1-propanone
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DownloadsMolfile
FormulaC20H20F3N3O2
Net Charge0
Average Mass391.393
Monoisotopic Mass391.15076
SMILESO=C(CC(F)(F)F)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1cccnc1
InChIInChI=1S/C20H20F3N3O2/c21-20(22,23)8-18(28)26-11-16-19(14-5-1-2-6-15(14)26)17(12-27)25(16)10-13-4-3-7-24-9-13/h1-7,9,16-17,19,27H,8,10-12H2/t16-,17+,19+/m0/s1
InChIKeyMLJFMAHJLRFJJA-YQVWRLOYSA-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-[(1S,2aR,8bR)-1-(hydroxymethyl)-2-(3-pyridinylmethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-3,3,3-trifluoro-1-propanone (CHEBI:131122) is a aminoquinoline (CHEBI:36709)
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