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CHEBI:128554 - 3-[(3aR,4R,9bR)-4-(hydroxymethyl)-1-(4-methylphenyl)sulfonyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-8-yl]-N,N-dimethylbenzamide

ChEBI IDCHEBI:128554
ChEBI Name3-[(3aR,4R,9bR)-4-(hydroxymethyl)-1-(4-methylphenyl)sulfonyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-8-yl]-N,N-dimethylbenzamide
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DownloadsMolfile
FormulaC28H31N3O4S
Net Charge0
Average Mass505.640
Monoisotopic Mass505.20353
SMILESCc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](CO)Nc4ccc(-c5cccc(C(=O)N(C)C)c5)cc4[C@@H]32)cc1
InChIInChI=1S/C28H31N3O4S/c1-18-7-10-22(11-8-18)36(34,35)31-14-13-23-26(17-32)29-25-12-9-20(16-24(25)27(23)31)19-5-4-6-21(15-19)28(33)30(2)3/h4-12,15-16,23,26-27,29,32H,13-14,17H2,1-3H3/t23-,26+,27-/m1/s1
InChIKeyQIBNXIMKUIWRFU-DURWQBQJSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[(3aR,4R,9bR)-4-(hydroxymethyl)-1-(4-methylphenyl)sulfonyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-8-yl]-N,N-dimethylbenzamide (CHEBI:128554) is a quinolines (CHEBI:26513)
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