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CHEBI:128387 - [(3aR,4S,9bR)-1-(benzenesulfonyl)-8-bromo-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol

ChEBI IDCHEBI:128387
ChEBI Name[(3aR,4S,9bR)-1-(benzenesulfonyl)-8-bromo-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol
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DownloadsMolfile
FormulaC18H19BrN2O3S
Net Charge0
Average Mass423.332
Monoisotopic Mass422.02998
SMILESO=S(=O)(c1ccccc1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(Br)cc3[C@@H]21
InChIInChI=1S/C18H19BrN2O3S/c19-12-6-7-16-15(10-12)18-14(17(11-22)20-16)8-9-21(18)25(23,24)13-4-2-1-3-5-13/h1-7,10,14,17-18,20,22H,8-9,11H2/t14-,17-,18-/m1/s1
InChIKeyPXTOKMABBRVFCH-ZTFGCOKTSA-N
ChEBI Ontology
Outgoing Relation(s)
[(3aR,4S,9bR)-1-(benzenesulfonyl)-8-bromo-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol (CHEBI:128387) is a pyrroloquinoline (CHEBI:50918)
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