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CHEBI:128672 - [(1R,2aS,8bS)-2-[(2-chlorophenyl)methyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-(3-methoxyphenyl)methanone

ChEBI IDCHEBI:128672
ChEBI Name[(1R,2aS,8bS)-2-[(2-chlorophenyl)methyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-(3-methoxyphenyl)methanone
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FormulaC26H25ClN2O3
Net Charge0
Average Mass448.950
Monoisotopic Mass448.15537
SMILESCOc1cccc(C(=O)N2C[C@@H]3[C@H](c4ccccc42)[C@H](CO)N3Cc2ccccc2Cl)c1
InChIInChI=1S/C26H25ClN2O3/c1-32-19-9-6-8-17(13-19)26(31)29-15-23-25(20-10-3-5-12-22(20)29)24(16-30)28(23)14-18-7-2-4-11-21(18)27/h2-13,23-25,30H,14-16H2,1H3/t23-,24+,25+/m1/s1
InChIKeyWOAUBZGAPTUEMV-DSITVLBTSA-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)-2-[(2-chlorophenyl)methyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-(3-methoxyphenyl)methanone (CHEBI:128672) is a aminoquinoline (CHEBI:36709)
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