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CHEBI:130783 - [(1R,2aS,8bS)-1-(hydroxymethyl)-2-(4-oxanylmethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-(2-methoxyphenyl)methanone

ChEBI IDCHEBI:130783
ChEBI Name[(1R,2aS,8bS)-1-(hydroxymethyl)-2-(4-oxanylmethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-(2-methoxyphenyl)methanone
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DownloadsMolfile
FormulaC25H30N2O4
Net Charge0
Average Mass422.525
Monoisotopic Mass422.22056
SMILESCOc1ccccc1C(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2CC1CCOCC1
InChIInChI=1S/C25H30N2O4/c1-30-23-9-5-3-7-19(23)25(29)27-15-21-24(18-6-2-4-8-20(18)27)22(16-28)26(21)14-17-10-12-31-13-11-17/h2-9,17,21-22,24,28H,10-16H2,1H3/t21-,22+,24+/m1/s1
InChIKeyAFQXRQVCBDZENT-GPXNEJASSA-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)
[(1R,2aS,8bS)-1-(hydroxymethyl)-2-(4-oxanylmethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-(2-methoxyphenyl)methanone (CHEBI:130783) is a aminoquinoline (CHEBI:36709)
Manual XrefsDatabases
LSM-42332LINCS