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CHEBI:128474 - [(1R,2aR,8bR)-2-(1,3-benzodioxol-5-ylmethyl)-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-(3-pyridinyl)methanone

ChEBI IDCHEBI:128474
ChEBI Name[(1R,2aR,8bR)-2-(1,3-benzodioxol-5-ylmethyl)-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-(3-pyridinyl)methanone
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DownloadsMolfile
FormulaC25H23N3O4
Net Charge0
Average Mass429.476
Monoisotopic Mass429.16886
SMILESO=C(c1cccnc1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2Cc1ccc2c(c1)OCO2
InChIInChI=1S/C25H23N3O4/c29-14-21-24-18-5-1-2-6-19(18)28(25(30)17-4-3-9-26-11-17)13-20(24)27(21)12-16-7-8-22-23(10-16)32-15-31-22/h1-11,20-21,24,29H,12-15H2/t20-,21-,24+/m0/s1
InChIKeyQWGDRFXXSCWPEX-AWRGLXIESA-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,2aR,8bR)-2-(1,3-benzodioxol-5-ylmethyl)-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-(3-pyridinyl)methanone (CHEBI:128474) is a aminoquinoline (CHEBI:36709)
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