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CHEBI:126005 - 1-[(1S,2aS,8bS)-1-(hydroxymethyl)-2-(4-oxanylmethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-3,3,3-trifluoro-1-propanone

ChEBI IDCHEBI:126005
ChEBI Name1-[(1S,2aS,8bS)-1-(hydroxymethyl)-2-(4-oxanylmethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-3,3,3-trifluoro-1-propanone
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DownloadsMolfile
FormulaC20H25F3N2O3
Net Charge0
Average Mass398.425
Monoisotopic Mass398.18173
SMILESO=C(CC(F)(F)F)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2CC1CCOCC1
InChIInChI=1S/C20H25F3N2O3/c21-20(22,23)9-18(27)25-11-16-19(14-3-1-2-4-15(14)25)17(12-26)24(16)10-13-5-7-28-8-6-13/h1-4,13,16-17,19,26H,5-12H2/t16-,17-,19+/m1/s1
InChIKeyDJGMPCRJWDHKNS-LMMKCTJWSA-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,2aS,8bS)-1-(hydroxymethyl)-2-(4-oxanylmethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-3,3,3-trifluoro-1-propanone (CHEBI:126005) is a aminoquinoline (CHEBI:36709)
Manual XrefsDatabases
LSM-37572LINCS