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CHEBI:130604 - [(1S,2aR,8bR)-2-[(4-chlorophenyl)methyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-(4-methoxyphenyl)methanone

ChEBI IDCHEBI:130604
ChEBI Name[(1S,2aR,8bR)-2-[(4-chlorophenyl)methyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-(4-methoxyphenyl)methanone
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DownloadsMolfile
FormulaC26H25ClN2O3
Net Charge0
Average Mass448.950
Monoisotopic Mass448.15537
SMILESCOc1ccc(C(=O)N2C[C@H]3[C@@H](c4ccccc42)[C@@H](CO)N3Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C26H25ClN2O3/c1-32-20-12-8-18(9-13-20)26(31)29-15-23-25(21-4-2-3-5-22(21)29)24(16-30)28(23)14-17-6-10-19(27)11-7-17/h2-13,23-25,30H,14-16H2,1H3/t23-,24+,25+/m0/s1
InChIKeyJBDQNBWFIJYPAM-ISJGIBHGSA-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)
[(1S,2aR,8bR)-2-[(4-chlorophenyl)methyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-(4-methoxyphenyl)methanone (CHEBI:130604) is a aminoquinoline (CHEBI:36709)
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