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CHEBI:126754 - [(1S,2aS,8bS)-2-[(2-chlorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-1-yl]methanol

ChEBI IDCHEBI:126754
ChEBI Name[(1S,2aS,8bS)-2-[(2-chlorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-1-yl]methanol
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DownloadsMolfile
FormulaC24H22ClFN2O3S
Net Charge0
Average Mass472.969
Monoisotopic Mass472.10237
SMILESO=S(=O)(c1ccc(F)cc1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2Cc1ccccc1Cl
InChIInChI=1S/C24H22ClFN2O3S/c25-20-7-3-1-5-16(20)13-27-22-14-28(32(30,31)18-11-9-17(26)10-12-18)21-8-4-2-6-19(21)24(22)23(27)15-29/h1-12,22-24,29H,13-15H2/t22-,23-,24+/m1/s1
InChIKeyIJAJYIACEINGRL-SMIHKQSGSA-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,2aS,8bS)-2-[(2-chlorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-1-yl]methanol (CHEBI:126754) is a aminoquinoline (CHEBI:36709)
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