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CHEBI:126458 - 1-[(3aR,4R,9bS)-8-bromo-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-2-phenylethanone

ChEBI IDCHEBI:126458
ChEBI Name1-[(3aR,4R,9bS)-8-bromo-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-2-phenylethanone
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DownloadsMolfile
FormulaC21H23BrN2O2
Net Charge0
Average Mass415.331
Monoisotopic Mass414.09429
SMILESCN1c2ccc(Br)cc2[C@@H]2[C@@H](CCN2C(=O)Cc2ccccc2)[C@@H]1CO
InChIInChI=1S/C21H23BrN2O2/c1-23-18-8-7-15(22)12-17(18)21-16(19(23)13-25)9-10-24(21)20(26)11-14-5-3-2-4-6-14/h2-8,12,16,19,21,25H,9-11,13H2,1H3/t16-,19-,21-/m0/s1
InChIKeyCDWQQECEQQYKFS-LRQRDZAKSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(3aR,4R,9bS)-8-bromo-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-2-phenylethanone (CHEBI:126458) is a pyrroloquinoline (CHEBI:50918)
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