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CHEBI:129097 - [(3aR,4R,9bS)-8-bromo-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-(3-fluorophenyl)methanone

ChEBI IDCHEBI:129097
ChEBI Name[(3aR,4R,9bS)-8-bromo-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-(3-fluorophenyl)methanone
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FormulaC20H20BrFN2O2
Net Charge0
Average Mass419.294
Monoisotopic Mass418.06922
SMILESCN1c2ccc(Br)cc2[C@@H]2[C@@H](CCN2C(=O)c2cccc(F)c2)[C@@H]1CO
InChIInChI=1S/C20H20BrFN2O2/c1-23-17-6-5-13(21)10-16(17)19-15(18(23)11-25)7-8-24(19)20(26)12-3-2-4-14(22)9-12/h2-6,9-10,15,18-19,25H,7-8,11H2,1H3/t15-,18-,19-/m0/s1
InChIKeyIUDCWEZUNCWYDS-SNRMKQJTSA-N
ChEBI Ontology
Outgoing Relation(s)
[(3aR,4R,9bS)-8-bromo-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-(3-fluorophenyl)methanone (CHEBI:129097) is a pyrroloquinoline (CHEBI:50918)
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