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CHEBI:129504 - [(1S,2aR,8bR)-4-(3-methylphenyl)sulfonyl-2-(4-oxanylmethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-1-yl]methanol

ChEBI IDCHEBI:129504
ChEBI Name[(1S,2aR,8bR)-4-(3-methylphenyl)sulfonyl-2-(4-oxanylmethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-1-yl]methanol
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DownloadsMolfile
FormulaC24H30N2O4S
Net Charge0
Average Mass442.581
Monoisotopic Mass442.19263
SMILESCc1cccc(S(=O)(=O)N2C[C@H]3[C@@H](c4ccccc42)[C@@H](CO)N3CC2CCOCC2)c1
InChIInChI=1S/C24H30N2O4S/c1-17-5-4-6-19(13-17)31(28,29)26-15-22-24(20-7-2-3-8-21(20)26)23(16-27)25(22)14-18-9-11-30-12-10-18/h2-8,13,18,22-24,27H,9-12,14-16H2,1H3/t22-,23+,24+/m0/s1
InChIKeyYBPZQQJGQWVWGL-RBZQAINGSA-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)-4-(3-methylphenyl)sulfonyl-2-(4-oxanylmethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-1-yl]methanol (CHEBI:129504) is a aminoquinoline (CHEBI:36709)
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