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CHEBI:130618 - (3aS,4R,9bR)-8-bromo-4-(hydroxymethyl)-N-(4-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide

ChEBI IDCHEBI:130618
ChEBI Name(3aS,4R,9bR)-8-bromo-4-(hydroxymethyl)-N-(4-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide
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DownloadsMolfile
FormulaC21H24BrN3O3
Net Charge0
Average Mass446.345
Monoisotopic Mass445.10010
SMILESCOc1ccc(NC(=O)N2CC[C@H]3[C@@H]2c2cc(Br)ccc2N(C)[C@H]3CO)cc1
InChIInChI=1S/C21H24BrN3O3/c1-24-18-8-3-13(22)11-17(18)20-16(19(24)12-26)9-10-25(20)21(27)23-14-4-6-15(28-2)7-5-14/h3-8,11,16,19-20,26H,9-10,12H2,1-2H3,(H,23,27)/t16-,19+,20-/m1/s1
InChIKeyRQZQZBODUVFKHC-LSTHTHJFSA-N
ChEBI Ontology
Outgoing Relation(s)
(3aS,4R,9bR)-8-bromo-4-(hydroxymethyl)-N-(4-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide (CHEBI:130618) is a pyrroloquinoline (CHEBI:50918)
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